N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide

C17H16ClNO2 — CID 86045214

IUPACN-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-12(20)19-16(14-8-5-9-15(18)10-14)11-17(21)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,19,20)
InChIKeyBBVUKCCBTLWGCV-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.79
Rot. Bonds5

About N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide

N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide (PubChem CID 86045214) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
PubChem CID86045214
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-12(20)19-16(14-8-5-9-15(18)10-14)11-17(21)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,19,20)
InChIKeyBBVUKCCBTLWGCV-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide 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-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
CID 58517183
3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide
CID 110676844
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
(3R)-3-(3-chlorophenyl)-1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-one
CID 71568130
3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
CID 15639390
3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one
CID 132592115
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
methyl N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102020553
3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide (CID 86045214) is N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide is CC(=O)NC(CC(=O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide?
The InChIKey is BBVUKCCBTLWGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12(20)19-16(14-8-5-9-15(18)10-14)11-17(21)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,19,20).
What are the key properties of N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide?
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide has a molecular weight of 301.77 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide is sourced from PubChem (CID 86045214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).