4-Amino-2-fluoro-N-methylbenzamide

C₈H₉FN₂OCAS 915087-25-1168.17 g/mol

Open in Covalent MOL file

Amide Aryl halide Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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)

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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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