N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide

C15H15ClN2O — CID 18877630

IUPACN-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C15H15ClN2O/c1-10(16)15(19)18-14-8-4-12(5-9-14)11-2-6-13(17)7-3-11/h2-10H,17H2,1H3,(H,18,19)
InChIKeyYZEDIEOFALSHTL-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.50
Rot. Bonds3

About N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide

N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide (PubChem CID 18877630) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
PubChem CID18877630
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C15H15ClN2O/c1-10(16)15(19)18-14-8-4-12(5-9-14)11-2-6-13(17)7-3-11/h2-10H,17H2,1H3,(H,18,19)
InChIKeyYZEDIEOFALSHTL-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide 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

N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
N-(4-aminophenyl)-2,3,3-trimethylbutanamide
CID 89148503
N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide
CID 170860591
N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60886177
ethyl 4-(2-chloropropanoylamino)benzoate
CID 42599434
2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 54867179
N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
CID 82224550

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide?
The IUPAC name of N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide (CID 18877630) is N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide.
What is the SMILES notation for N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide?
The canonical SMILES for N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide is CC(Cl)C(=O)Nc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide?
The InChIKey is YZEDIEOFALSHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10(16)15(19)18-14-8-4-12(5-9-14)11-2-6-13(17)7-3-11/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide?
N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide has a molecular weight of 274.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide is sourced from PubChem (CID 18877630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).