1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C20H19ClN2O3 — CID 46401098

IUPAC1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1Cc2ccccc2O1)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H19ClN2O3/c21-15-5-3-6-16(10-15)23-12-14(9-19(23)24)20(25)22-11-17-8-13-4-1-2-7-18(13)26-17/h1-7,10,14,17H,8-9,11-12H2,(H,22,25)
InChIKeyRCXSNCFYJWPPEW-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.81
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46401098) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46401098
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1Cc2ccccc2O1)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H19ClN2O3/c21-15-5-3-6-16(10-15)23-12-14(9-19(23)24)20(25)22-11-17-8-13-4-1-2-7-18(13)26-17/h1-7,10,14,17H,8-9,11-12H2,(H,22,25)
InChIKeyRCXSNCFYJWPPEW-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 100899532
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90635279
1-(3-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 46581333
1-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587015
1-(3-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 53125838
1-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46584016
1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 42953358
N',1-bis(3-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43059071
1-(3-chlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 17322003
2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61140365
(3R)-1-(3-methylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93017593
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 46401098) is 1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCC1Cc2ccccc2O1)C1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RCXSNCFYJWPPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-15-5-3-6-16(10-15)23-12-14(9-19(23)24)20(25)22-11-17-8-13-4-1-2-7-18(13)26-17/h1-7,10,14,17H,8-9,11-12H2,(H,22,25).
What are the key properties of 1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46401098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).