1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C20H20ClN3O3 — CID 55832891

IUPAC1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H20ClN3O3/c1-23(2)20(27)13-4-3-5-16(10-13)22-19(26)14-11-18(25)24(12-14)17-8-6-15(21)7-9-17/h3-10,14H,11-12H2,1-2H3,(H,22,26)
InChIKeyZZTPBZGCEYCIMC-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55832891) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55832891
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H20ClN3O3/c1-23(2)20(27)13-4-3-5-16(10-13)22-19(26)14-11-18(25)24(12-14)17-8-6-15(21)7-9-17/h3-10,14H,11-12H2,1-2H3,(H,22,26)
InChIKeyZZTPBZGCEYCIMC-UHFFFAOYSA-N
XLogP3.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
1-(4-chlorophenyl)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55852191
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55853603
(3R)-1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1103942
(3R)-N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7279210
(3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51720732
N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
(3S)-N-(4-carbamoylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9391052
(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55832891) is 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CN(C)C(=O)c1cccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZZTPBZGCEYCIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-23(2)20(27)13-4-3-5-16(10-13)22-19(26)14-11-18(25)24(12-14)17-8-6-15(21)7-9-17/h3-10,14H,11-12H2,1-2H3,(H,22,26).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55832891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).