2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide

C15H16N2O3 — CID 45182441

IUPAC2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)NCC3CCC(=O)N3)c2o1
InChIInChI=1S/C15H16N2O3/c1-9-7-10-3-2-4-12(14(10)20-9)15(19)16-8-11-5-6-13(18)17-11/h2-4,7,11H,5-6,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyBUUCFZWFXDJLMG-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide

2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide (PubChem CID 45182441) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide
PubChem CID45182441
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)NCC3CCC(=O)N3)c2o1
InChIInChI=1S/C15H16N2O3/c1-9-7-10-3-2-4-12(14(10)20-9)15(19)16-8-11-5-6-13(18)17-11/h2-4,7,11H,5-6,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyBUUCFZWFXDJLMG-UHFFFAOYSA-N
XLogP1.75
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 80711647
2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 113345292
4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 107030755
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 81112702
2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide
CID 125179413
2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107030749
6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 115497910
2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide
CID 118785685
4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 103925282
2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide
CID 131923221
4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 110732273
4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 91792844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide?
The IUPAC name of 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide (CID 45182441) is 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide is Cc1cc2cccc(C(=O)NCC3CCC(=O)N3)c2o1.
What is the InChIKey of 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide?
The InChIKey is BUUCFZWFXDJLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-7-10-3-2-4-12(14(10)20-9)15(19)16-8-11-5-6-13(18)17-11/h2-4,7,11H,5-6,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide?
2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 45182441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).