3-amino-6-chloro-2-methyl-N-phenylbenzamide

C14H13ClN2O — CID 86676286

IUPAC3-amino-6-chloro-2-methyl-N-phenylbenzamide
SMILESCc1c(N)ccc(Cl)c1C(=O)Nc1ccccc1
InChIInChI=1S/C14H13ClN2O/c1-9-12(16)8-7-11(15)13(9)14(18)17-10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyNUSZTECVBVJWSK-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.48
Rot. Bonds2

About 3-amino-6-chloro-2-methyl-N-phenylbenzamide

3-amino-6-chloro-2-methyl-N-phenylbenzamide (PubChem CID 86676286) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-amino-6-chloro-2-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-amino-6-chloro-2-methyl-N-phenylbenzamide
PubChem CID86676286
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-amino-6-chloro-2-methyl-N-phenylbenzamide
SMILESCc1c(N)ccc(Cl)c1C(=O)Nc1ccccc1
InChIInChI=1S/C14H13ClN2O/c1-9-12(16)8-7-11(15)13(9)14(18)17-10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyNUSZTECVBVJWSK-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'}

Analyze 3-amino-6-chloro-2-methyl-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
2-amino-4,6-dichloro-N-phenylbenzamide
CID 15314627
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide
CID 2250223
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
3-amino-4,5-dichloro-N-phenylbenzamide
CID 61090142
5-amino-2-methyl-N-phenyl-1,3-benzothiazole-4-carboxamide
CID 141320894
4-amino-2-chloro-5-methoxy-N-phenylbenzamide
CID 66664690
2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide
CID 102109299
2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide
CID 63663448
N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-2-methyl-N-phenylbenzamide?
The IUPAC name of 3-amino-6-chloro-2-methyl-N-phenylbenzamide (CID 86676286) is 3-amino-6-chloro-2-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-amino-6-chloro-2-methyl-N-phenylbenzamide?
The canonical SMILES for 3-amino-6-chloro-2-methyl-N-phenylbenzamide is Cc1c(N)ccc(Cl)c1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-chloro-2-methyl-N-phenylbenzamide?
The InChIKey is NUSZTECVBVJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-12(16)8-7-11(15)13(9)14(18)17-10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-6-chloro-2-methyl-N-phenylbenzamide?
3-amino-6-chloro-2-methyl-N-phenylbenzamide 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 3-amino-6-chloro-2-methyl-N-phenylbenzamide is sourced from PubChem (CID 86676286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).