2-Amino-5-chloro-N,3-dimethylbenzamide

C9H11ClN2OCAS 890707-28-5198.65 g/mol

Open in Covalent MOL file
NHOClH2N
Aryl halidePrimary amine

Properties

Molecular formula
C9H11ClN2O
Molar mass
198.65 g/mol
Exact mass
198.0560 Da
Melting point
130–132 °C
logP
2.17Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, P501

Identifiers

CAS number
890707-28-5
SMILES
CN=C(O)c1cc(Cl)cc(C)c1N
InChIKey
WOBVZGBINMTNKL-UHFFFAOYSA-N
InChI
InChI=1S/C9H11ClN2O/c1-5-3-6(10)4-7(8(5)11)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13)

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Names and synonyms

2 names
  • Benzamide, 2-amino-5-chloro-N,3-dimethyl-
  • 2-Amino-5-chloro-N-methyl-3-methylbenzamide

Work with 2-Amino-5-chloro-N,3-dimethylbenzamide

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

2-Amino-5-chloro-3-methylbenzoic acid20776-67-460 % similar 4-Chloro-2,6-dimethylaniline24596-18-753 % similar 2,4-Dichloro-6-methylaniline30273-00-847 % similar 4-Chloro-2-methyl-6-nitroaniline62790-50-539 % similar 2-Amino-3,5-dimethylbenzoic acid14438-32-538 % similar 3,5-Dichloroanthranilic acid2789-92-638 % similar 4-Chloro-2,6-dimethylphenol1123-63-337 % similar 2-Amino-5-bromo-3-methylbenzoic acid206548-13-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Chlorophenyl)-1,1-dimethylurea150-68-5 4-(3-Chloropyridin-2-yl)morpholine54231-36-6

Elsewhere

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