N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C26H24ClN3O3 — CID 17082255

IUPACN-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H24ClN3O3/c1-29(16-18-7-3-2-4-8-18)26(33)22-9-5-6-10-23(22)28-25(32)19-15-24(31)30(17-19)21-13-11-20(27)12-14-21/h2-14,19H,15-17H2,1H3,(H,28,32)
InChIKeyFJIZGMNEXSNQKZ-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.60
Rot. Bonds6

About N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082255) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17082255
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC NameN-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H24ClN3O3/c1-29(16-18-7-3-2-4-8-18)26(33)22-9-5-6-10-23(22)28-25(32)19-15-24(31)30(17-19)21-13-11-20(27)12-14-21/h2-14,19H,15-17H2,1H3,(H,28,32)
InChIKeyFJIZGMNEXSNQKZ-UHFFFAOYSA-N
XLogP4.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17154007
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55870262
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
(3S)-1-(4-chlorophenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1077272
N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082104
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3R)-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084233
(3R)-N-[2-(benzylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006938
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51179819

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 17082255) is N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FJIZGMNEXSNQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-29(16-18-7-3-2-4-8-18)26(33)22-9-5-6-10-23(22)28-25(32)19-15-24(31)30(17-19)21-13-11-20(27)12-14-21/h2-14,19H,15-17H2,1H3,(H,28,32).
What are the key properties of N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).