N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C25H20Cl2N2O3 — CID 17080865

IUPACN-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2=O)cc1Cl
InChIInChI=1S/C25H20Cl2N2O3/c1-15-7-9-19(13-21(15)27)29-14-17(11-23(29)30)25(32)28-22-10-8-18(26)12-20(22)24(31)16-5-3-2-4-6-16/h2-10,12-13,17H,11,14H2,1H3,(H,28,32)
InChIKeyBUSZDSHDQKLZMD-UHFFFAOYSA-N
MW467.35 g/mol
LogP5.52
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17080865) has the molecular formula C25H20Cl2N2O3 and a molecular weight of 467.35 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17080865
Molecular FormulaC25H20Cl2N2O3
Molecular Weight467.35 g/mol
Exact Mass466.09
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2=O)cc1Cl
InChIInChI=1S/C25H20Cl2N2O3/c1-15-7-9-19(13-21(15)27)29-14-17(11-23(29)30)25(32)28-22-10-8-18(26)12-20(22)24(31)16-5-3-2-4-6-16/h2-10,12-13,17H,11,14H2,1H3,(H,28,32)
InChIKeyBUSZDSHDQKLZMD-UHFFFAOYSA-N
XLogP5.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.35
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84987956
(3S)-N-(2-bromophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7449865
(3R)-1-(3-chloro-4-methylphenyl)-N-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9352106
(3S)-N-(5-chloro-2-methylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058157
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
methyl 3-[[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113187822
(3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260188
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080885
1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080898
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 6462969
1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55870262
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17080865) is N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2=O)cc1Cl.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BUSZDSHDQKLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O3/c1-15-7-9-19(13-21(15)27)29-14-17(11-23(29)30)25(32)28-22-10-8-18(26)12-20(22)24(31)16-5-3-2-4-6-16/h2-10,12-13,17H,11,14H2,1H3,(H,28,32).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 467.35 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17080865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).