N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C12H13ClN2O2 — CID 3076739

IUPACN-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c13-9-3-5-10(6-4-9)14-11(16)8-15-7-1-2-12(15)17/h3-6H,1-2,7-8H2,(H,14,16)
InChIKeyKQLCHKLSBCDDHY-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.90
Rot. Bonds3

About N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 3076739) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID3076739
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c13-9-3-5-10(6-4-9)14-11(16)8-15-7-1-2-12(15)17/h3-6H,1-2,7-8H2,(H,14,16)
InChIKeyKQLCHKLSBCDDHY-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 3076739) is N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is KQLCHKLSBCDDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-9-3-5-10(6-4-9)14-11(16)8-15-7-1-2-12(15)17/h3-6H,1-2,7-8H2,(H,14,16).
What are the key properties of N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 252.70 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 3076739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).