2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide

C15H15ClN2O3 — CID 166246750

IUPAC2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1coc2cc(Cl)ccc12)NC[C@@H]1CCC(=O)N1
InChIInChI=1S/C15H15ClN2O3/c16-10-1-3-12-9(8-21-13(12)6-10)5-15(20)17-7-11-2-4-14(19)18-11/h1,3,6,8,11H,2,4-5,7H2,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeySRFLDIGURMPQEF-NSHDSACASA-N
MW306.75 g/mol
LogP2.02
Rot. Bonds4

About 2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide

2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide (PubChem CID 166246750) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide
PubChem CID166246750
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1coc2cc(Cl)ccc12)NC[C@@H]1CCC(=O)N1
InChIInChI=1S/C15H15ClN2O3/c16-10-1-3-12-9(8-21-13(12)6-10)5-15(20)17-7-11-2-4-14(19)18-11/h1,3,6,8,11H,2,4-5,7H2,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeySRFLDIGURMPQEF-NSHDSACASA-N
XLogP2.02
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]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-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide (CID 166246750) is 2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide is O=C(Cc1coc2cc(Cl)ccc12)NC[C@@H]1CCC(=O)N1.
What is the InChIKey of 2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide?
The InChIKey is SRFLDIGURMPQEF-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-10-1-3-12-9(8-21-13(12)6-10)5-15(20)17-7-11-2-4-14(19)18-11/h1,3,6,8,11H,2,4-5,7H2,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of 2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide?
2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide has a molecular weight of 306.75 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 166246750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).