N-(4-aminophenyl)-4-chlorobenzamide

C13H11ClN2O — CID 960654

IUPACN-(4-aminophenyl)-4-chlorobenzamide
SMILESNc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H11ClN2O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,15H2,(H,16,17)
InChIKeyCYSQNIFSCOEHDN-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.17
Rot. Bonds2

About N-(4-aminophenyl)-4-chlorobenzamide

N-(4-aminophenyl)-4-chlorobenzamide (PubChem CID 960654) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-chlorobenzamide
PubChem CID960654
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC NameN-(4-aminophenyl)-4-chlorobenzamide
SMILESNc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H11ClN2O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,15H2,(H,16,17)
InChIKeyCYSQNIFSCOEHDN-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-4-chlorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-chlorobenzamide?
The IUPAC name of N-(4-aminophenyl)-4-chlorobenzamide (CID 960654) is N-(4-aminophenyl)-4-chlorobenzamide.
What is the SMILES notation for N-(4-aminophenyl)-4-chlorobenzamide?
The canonical SMILES for N-(4-aminophenyl)-4-chlorobenzamide is Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-chlorobenzamide?
The InChIKey is CYSQNIFSCOEHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,15H2,(H,16,17).
What are the key properties of N-(4-aminophenyl)-4-chlorobenzamide?
N-(4-aminophenyl)-4-chlorobenzamide has a molecular weight of 246.70 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-chlorobenzamide is sourced from PubChem (CID 960654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).