2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide

C12H13ClN2O2 — CID 95368466

IUPAC2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C1C[C@H](NC(=O)Cc2ccc(Cl)cc2)CN1
InChIInChI=1S/C12H13ClN2O2/c13-9-3-1-8(2-4-9)5-12(17)15-10-6-11(16)14-7-10/h1-4,10H,5-7H2,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyCIKSQYTYIGFZDE-JTQLQIEISA-N
MW252.70 g/mol
LogP0.89
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide

2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 95368466) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID95368466
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C1C[C@H](NC(=O)Cc2ccc(Cl)cc2)CN1
InChIInChI=1S/C12H13ClN2O2/c13-9-3-1-8(2-4-9)5-12(17)15-10-6-11(16)14-7-10/h1-4,10H,5-7H2,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyCIKSQYTYIGFZDE-JTQLQIEISA-N
XLogP0.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635
2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490404
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
2-(4-acetamidophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62898113
N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 106187640
N'-(2-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 113358036
3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide
CID 106192180
2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7236739

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide (CID 95368466) is 2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide is O=C1C[C@H](NC(=O)Cc2ccc(Cl)cc2)CN1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is CIKSQYTYIGFZDE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-9-3-1-8(2-4-9)5-12(17)15-10-6-11(16)14-7-10/h1-4,10H,5-7H2,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide?
2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 252.70 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 95368466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).