1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide

C24H22N2O3 — CID 110426937

IUPAC1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C24H22N2O3/c27-23-16-15-21(26(23)17-18-9-3-1-4-10-18)24(28)25-20-13-7-8-14-22(20)29-19-11-5-2-6-12-19/h1-14,21H,15-17H2,(H,25,28)
InChIKeyFAXSVDWRHKBLSG-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.61
Rot. Bonds6

About 1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide

1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 110426937) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID110426937
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C24H22N2O3/c27-23-16-15-21(26(23)17-18-9-3-1-4-10-18)24(28)25-20-13-7-8-14-22(20)29-19-11-5-2-6-12-19/h1-14,21H,15-17H2,(H,25,28)
InChIKeyFAXSVDWRHKBLSG-UHFFFAOYSA-N
XLogP4.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
N-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 163358366
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300
ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide (CID 110426937) is 1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is FAXSVDWRHKBLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-23-16-15-21(26(23)17-18-9-3-1-4-10-18)24(28)25-20-13-7-8-14-22(20)29-19-11-5-2-6-12-19/h1-14,21H,15-17H2,(H,25,28).
What are the key properties of 1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide?
1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110426937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).