N-(3-chlorophenyl)-3-phenylbutanamide

C16H16ClNO — CID 2914655

IUPACN-(3-chlorophenyl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-12(13-6-3-2-4-7-13)10-16(19)18-15-9-5-8-14(17)11-15/h2-9,11-12H,10H2,1H3,(H,18,19)
InChIKeyPGOGRWWFIZEGJL-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.47
Rot. Bonds4

About N-(3-chlorophenyl)-3-phenylbutanamide

N-(3-chlorophenyl)-3-phenylbutanamide (PubChem CID 2914655) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-phenylbutanamide
PubChem CID2914655
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-(3-chlorophenyl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-12(13-6-3-2-4-7-13)10-16(19)18-15-9-5-8-14(17)11-15/h2-9,11-12H,10H2,1H3,(H,18,19)
InChIKeyPGOGRWWFIZEGJL-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-chlorophenyl)-3-phenylbutanamide 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-(3-chlorophenyl)-3-phenylbutanamide?
The IUPAC name of N-(3-chlorophenyl)-3-phenylbutanamide (CID 2914655) is N-(3-chlorophenyl)-3-phenylbutanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-phenylbutanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-phenylbutanamide is CC(CC(=O)Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-3-phenylbutanamide?
The InChIKey is PGOGRWWFIZEGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(13-6-3-2-4-7-13)10-16(19)18-15-9-5-8-14(17)11-15/h2-9,11-12H,10H2,1H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-3-phenylbutanamide?
N-(3-chlorophenyl)-3-phenylbutanamide has a molecular weight of 273.76 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-phenylbutanamide is sourced from PubChem (CID 2914655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).