chempirical

3-Amino-4-chlorobenzamide

C7H7ClN2OCAS 19694-10-1170.60 g/mol

Open in Covalent MOL file
H2NOClNH2
Aryl halidePrimary amine

Properties

Molecular formula
C7H7ClN2O
Molar mass
170.60 g/mol
Exact mass
170.0247 Da
Melting point
164 °C
logP
1.81Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
19694-10-1
SMILES
N=C(O)c1ccc(Cl)c(N)c1
InChIKey
QHMDKGRWJVOUFU-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClN2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H2,10,11)

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Names and synonyms

3 names
  • 4-Chloro-3-aminobenzamide
  • Benzamide, 3-amino-4-chloro-
  • 3-Amino-4-chlorobenzenecarboxamide

Work with 3-Amino-4-chlorobenzamide

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

3-Amino-4-methylbenzamide19406-86-160 % similar 3-Amino-4-chlorobenzoic acid2840-28-060 % similar 3-Amino-4-methoxybenzamide17481-27-557 % similar 4-Chloro-3-nitrobenzamide16588-06-053 % similar 1,3-Benzenedicarboxamide1740-57-452 % similar 3-Aminobenzamide3544-24-951 % similar 2-(3-Amino-4-chlorobenzoyl)benzoic acid118-04-749 % similar 3-Chlorobenzamide618-48-449 % similar

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

Same formula

N-(2-Chloropyridin-4-yl)acetamide13602-82-9 4-Chlorophenylurea140-38-5 3-Chlorobenzohydrazide1673-47-8 4-Chloro-N-methylpicolinamide220000-87-3 2-Amino-5-chlorobenzamide5202-85-7 4-Chlorobenzoic acid hydrazide536-40-3 2-Chlorobenzoic acid hydrazide5814-05-1 2-Amino-4-chlorobenzamide5900-59-4

Elsewhere

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