2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C12H12ClNO3 — CID 24936642

IUPAC2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12ClNO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
InChIKeyYSPKAYPVJABRGS-JTQLQIEISA-N
MW253.68 g/mol
LogP1.31
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 24936642) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID24936642
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12ClNO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
InChIKeyYSPKAYPVJABRGS-JTQLQIEISA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide 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 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 24936642) is 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(Cc1ccc(Cl)cc1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is YSPKAYPVJABRGS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12ClNO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 253.68 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 24936642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).