N-(2-amino-6-methylphenyl)-3-chlorobenzamide

C14H13ClN2O — CID 43152332

IUPACN-(2-amino-6-methylphenyl)-3-chlorobenzamide
SMILESCc1cccc(N)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O/c1-9-4-2-7-12(16)13(9)17-14(18)10-5-3-6-11(15)8-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyUWJVTNZMGIVMEL-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.48
Rot. Bonds2

About N-(2-amino-6-methylphenyl)-3-chlorobenzamide

N-(2-amino-6-methylphenyl)-3-chlorobenzamide (PubChem CID 43152332) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-3-chlorobenzamide
PubChem CID43152332
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(2-amino-6-methylphenyl)-3-chlorobenzamide
SMILESCc1cccc(N)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O/c1-9-4-2-7-12(16)13(9)17-14(18)10-5-3-6-11(15)8-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyUWJVTNZMGIVMEL-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-6-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 43330005
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43330066
N-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
CID 43152274
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 3073016
N-(2-amino-6-methylphenyl)-6-methylpyridine-3-carboxamide
CID 43152306
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-3-chlorobenzamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-3-chlorobenzamide (CID 43152332) is N-(2-amino-6-methylphenyl)-3-chlorobenzamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-3-chlorobenzamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-3-chlorobenzamide is Cc1cccc(N)c1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-3-chlorobenzamide?
The InChIKey is UWJVTNZMGIVMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-4-2-7-12(16)13(9)17-14(18)10-5-3-6-11(15)8-10/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-6-methylphenyl)-3-chlorobenzamide?
N-(2-amino-6-methylphenyl)-3-chlorobenzamide has a molecular weight of 260.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-3-chlorobenzamide is sourced from PubChem (CID 43152332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).