N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C25H24N2O2 — CID 17080682

IUPACN-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)NC(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C25H24N2O2/c1-18-10-8-9-15-22(18)27-17-21(16-23(27)28)25(29)26-24(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,21,24H,16-17H2,1H3,(H,26,29)
InChIKeyAJHQPHUJKMMNKZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.25
Rot. Bonds5

About N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17080682) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17080682
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)NC(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C25H24N2O2/c1-18-10-8-9-15-22(18)27-17-21(16-23(27)28)25(29)26-24(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,21,24H,16-17H2,1H3,(H,26,29)
InChIKeyAJHQPHUJKMMNKZ-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 16557109
1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 17080743
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400697
N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081987
N-(3-methylbutyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080735
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17080682) is N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1N1CC(C(=O)NC(c2ccccc2)c2ccccc2)CC1=O.
What is the InChIKey of N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AJHQPHUJKMMNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18-10-8-9-15-22(18)27-17-21(16-23(27)28)25(29)26-24(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,21,24H,16-17H2,1H3,(H,26,29).
What are the key properties of N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17080682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).