N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide

C20H17ClN2O3 — CID 45177959

IUPACN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2Cl)C1)c1cc2ccccc2o1
InChIInChI=1S/C20H17ClN2O3/c21-16-7-3-1-6-14(16)11-23-12-15(10-19(23)24)22-20(25)18-9-13-5-2-4-8-17(13)26-18/h1-9,15H,10-12H2,(H,22,25)
InChIKeyFJOADYABXSXZSK-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.62
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide

N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 45177959) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID45177959
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2Cl)C1)c1cc2ccccc2o1
InChIInChI=1S/C20H17ClN2O3/c21-16-7-3-1-6-14(16)11-23-12-15(10-19(23)24)22-20(25)18-9-13-5-2-4-8-17(13)26-18/h1-9,15H,10-12H2,(H,22,25)
InChIKeyFJOADYABXSXZSK-UHFFFAOYSA-N
XLogP3.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 95709758
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 45187441
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255005
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333932
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333935
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45226916
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 28785782
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 45222736
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
CID 42307840
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 95710228

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide (CID 45177959) is N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide is O=C(NC1CC(=O)N(Cc2ccccc2Cl)C1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is FJOADYABXSXZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-16-7-3-1-6-14(16)11-23-12-15(10-19(23)24)22-20(25)18-9-13-5-2-4-8-17(13)26-18/h1-9,15H,10-12H2,(H,22,25).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 45177959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).