2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C14H17ClN2O2 — CID 18135532

IUPAC2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-12-6-2-1-5-11(12)14(19)16-8-7-13(18)17-9-3-4-10-17/h1-2,5-6H,3-4,7-10H2,(H,16,19)
InChIKeyYLCVCGZWLHQQEU-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.08
Rot. Bonds4

About 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 18135532) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID18135532
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-12-6-2-1-5-11(12)14(19)16-8-7-13(18)17-9-3-4-10-17/h1-2,5-6H,3-4,7-10H2,(H,16,19)
InChIKeyYLCVCGZWLHQQEU-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide 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-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 18135532) is 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is O=C(NCCC(=O)N1CCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is YLCVCGZWLHQQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-12-6-2-1-5-11(12)14(19)16-8-7-13(18)17-9-3-4-10-17/h1-2,5-6H,3-4,7-10H2,(H,16,19).
What are the key properties of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 280.75 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 18135532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).