4-Amino-2-fluoro-N-methylbenzamide

C8H9FN2OCAS 915087-25-1168.17 g/mol

Open in Covalent MOL file
NHONH2F
AmideAryl halidePrimary amine

Properties

Molecular formula
C8H9FN2O
Molar mass
168.17 g/mol
Exact mass
168.0699 Da
logP
0.77Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
915087-25-1
SMILES
CNC(=O)C1=C(C=C(C=C1)N)F
InChIKey
XOKAXPQJUODMSH-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FN2O/c1-11-8(12)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3,(H,11,12)

Weigh it out

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Work with 4-Amino-2-fluoro-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

4-Bromo-2-fluoro-N-methylbenzamide749927-69-363 % similar 4-Amino-N-methylbenzamide6274-22-257 % similar 3-Amino-N-methylbenzamide25900-61-257 % similar 4-Amino-2-fluorobenzoic acid446-31-155 % similar N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine1289942-66-050 % similar N-(3-Fluoro-4-((methylamino)carbonyl)phenyl)-2-methylalanine methyl ester1332524-01-248 % similar 2,4-Difluorobenzoic acid hydrazide118737-62-546 % similar 2-Amino-N-methylbenzamide4141-08-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-methylbenzamide oxime238742-80-8 4-Fluorobenzylurea76523-24-5

Elsewhere

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