1-[4-(4-amino-2-chloroanilino)phenyl]ethanone

C14H13ClN2O — CID 82302045

IUPAC1-[4-(4-amino-2-chloroanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-9(18)10-2-5-12(6-3-10)17-14-7-4-11(16)8-13(14)15/h2-8,17H,16H2,1H3
InChIKeyFAVJGNMWTGMJPR-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.87
Rot. Bonds3

About 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone

1-[4-(4-amino-2-chloroanilino)phenyl]ethanone (PubChem CID 82302045) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-2-chloroanilino)phenyl]ethanone
PubChem CID82302045
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name1-[4-(4-amino-2-chloroanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C14H13ClN2O/c1-9(18)10-2-5-12(6-3-10)17-14-7-4-11(16)8-13(14)15/h2-8,17H,16H2,1H3
InChIKeyFAVJGNMWTGMJPR-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone 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

1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 43148771
N-(4-acetylphenyl)-5-amino-2-chlorobenzamide
CID 28723012
1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828
1-N-[4-[3-[4-(4-amino-2-chloroanilino)phenyl]propyl]phenyl]-2-chlorobenzene-1,4-diamine
CID 90006139
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
1-[4-[[5-amino-6-(4-chloro-2-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22546451
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone
CID 104612316
5-acetyl-2-(4-chloroanilino)benzoic acid
CID 70686076
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 62329507

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone?
The IUPAC name of 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone (CID 82302045) is 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone is CC(=O)c1ccc(Nc2ccc(N)cc2Cl)cc1.
What is the InChIKey of 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone?
The InChIKey is FAVJGNMWTGMJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9(18)10-2-5-12(6-3-10)17-14-7-4-11(16)8-13(14)15/h2-8,17H,16H2,1H3.
What are the key properties of 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone?
1-[4-(4-amino-2-chloroanilino)phenyl]ethanone has a molecular weight of 260.72 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-chloroanilino)phenyl]ethanone is sourced from PubChem (CID 82302045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).