3-amino-N-(2-chloro-3-methylphenyl)benzamide

C14H13ClN2O — CID 113266907

IUPAC3-amino-N-(2-chloro-3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(N)c2)c1Cl
InChIInChI=1S/C14H13ClN2O/c1-9-4-2-7-12(13(9)15)17-14(18)10-5-3-6-11(16)8-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyXIQWWKOQDSMHAB-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.48
Rot. Bonds2

About 3-amino-N-(2-chloro-3-methylphenyl)benzamide

3-amino-N-(2-chloro-3-methylphenyl)benzamide (PubChem CID 113266907) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-3-methylphenyl)benzamide
PubChem CID113266907
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-amino-N-(2-chloro-3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(N)c2)c1Cl
InChIInChI=1S/C14H13ClN2O/c1-9-4-2-7-12(13(9)15)17-14(18)10-5-3-6-11(16)8-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyXIQWWKOQDSMHAB-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

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CID 43702687
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3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412
2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114251501
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 43710895
4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
N-(4-acetamido-3-methylphenyl)-3-aminobenzamide
CID 43698803
ethyl 3-[(3-aminobenzoyl)amino]-4-methylbenzoate
CID 154574450
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-3-methylphenyl)benzamide?
The IUPAC name of 3-amino-N-(2-chloro-3-methylphenyl)benzamide (CID 113266907) is 3-amino-N-(2-chloro-3-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-chloro-3-methylphenyl)benzamide?
The canonical SMILES for 3-amino-N-(2-chloro-3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(N)c2)c1Cl.
What is the InChIKey of 3-amino-N-(2-chloro-3-methylphenyl)benzamide?
The InChIKey is XIQWWKOQDSMHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-4-2-7-12(13(9)15)17-14(18)10-5-3-6-11(16)8-10/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(2-chloro-3-methylphenyl)benzamide?
3-amino-N-(2-chloro-3-methylphenyl)benzamide 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-N-(2-chloro-3-methylphenyl)benzamide is sourced from PubChem (CID 113266907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).