4-Fluoro-N-methoxy-N-methylbenzamide

C₉H₁₀FNO₂CAS 116332-54-8183.18 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₉H₁₀FNO₂
Molar mass: 183.18 g/mol
Exact mass: 183.0696 Da
logP: 1.46Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

116332-54-8

SMILES

CON(C)C(=O)c1ccc(F)cc1

InChIKey

DSUFRPVVBZLHPI-UHFFFAOYSA-N

InChI

InChI=1S/C9H10FNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Benzamide, 4-fluoro-N-methoxy-N-methyl-
N-Methoxy-N-methyl-4-fluorobenzaldehyde
N-Methyl-N-methoxy-4-fluorobenzamide
4-Fluoro-N-methyl-N-methoxybenzamide
4-Fluoro-N-methoxy-N-methylbenzylamide

Work with 4-Fluoro-N-methoxy-N-methylbenzamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(4-Fluorobenzoyl)piperidine58547-67-451 % similar Methyl 4-fluorobenzoate403-33-847 % similar 4-Fluoro-4'-methoxybenzophenone345-89-144 % similar 4′-Fluoroacetophenone403-42-943 % similar 4,4′-Difluorobenzophenone345-92-642 % similar 1,2-Bis(4-fluorophenyl)-1,2-ethanedione579-39-542 % similar Methyl 4-fluoro-β-oxobenzenepropanoate63131-29-340 % similar Ethyl 4-fluorobenzoate451-46-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Fluoro-D-phenylalanine110117-84-5 4-Fluoro-L-phenylalanine1132-68-9 β-Amino-3-fluorobenzenepropanoic acid117391-51-2 (R)-3-Amino-3-(4-fluorophenyl)-propionic acid151911-23-8 (3S)-3-Amino-3-(4-fluorophenyl)propanoic acid151911-33-0 4-Fluoro-D-phenylalanine18125-46-7 3-Fluoro-L-phenylalanine19883-77-3 2-Fluoro-L-phenylalanine19883-78-4

Elsewhere

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