4-amino-N-(3-chlorophenyl)-3-methylbenzamide

C14H13ClN2O — CID 16785313

IUPAC4-amino-N-(3-chlorophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2)ccc1N
InChIInChI=1S/C14H13ClN2O/c1-9-7-10(5-6-13(9)16)14(18)17-12-4-2-3-11(15)8-12/h2-8H,16H2,1H3,(H,17,18)
InChIKeyUWLODAIGTWDJEE-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.48
Rot. Bonds2

About 4-amino-N-(3-chlorophenyl)-3-methylbenzamide

4-amino-N-(3-chlorophenyl)-3-methylbenzamide (PubChem CID 16785313) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-amino-N-(3-chlorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3-chlorophenyl)-3-methylbenzamide
PubChem CID16785313
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name4-amino-N-(3-chlorophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2)ccc1N
InChIInChI=1S/C14H13ClN2O/c1-9-7-10(5-6-13(9)16)14(18)17-12-4-2-3-11(15)8-12/h2-8H,16H2,1H3,(H,17,18)
InChIKeyUWLODAIGTWDJEE-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

4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide
CID 139753091
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60861685
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide
CID 61090012
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chlorophenyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(3-chlorophenyl)-3-methylbenzamide (CID 16785313) is 4-amino-N-(3-chlorophenyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(3-chlorophenyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(3-chlorophenyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2cccc(Cl)c2)ccc1N.
What is the InChIKey of 4-amino-N-(3-chlorophenyl)-3-methylbenzamide?
The InChIKey is UWLODAIGTWDJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-7-10(5-6-13(9)16)14(18)17-12-4-2-3-11(15)8-12/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(3-chlorophenyl)-3-methylbenzamide?
4-amino-N-(3-chlorophenyl)-3-methylbenzamide 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 4-amino-N-(3-chlorophenyl)-3-methylbenzamide is sourced from PubChem (CID 16785313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).