N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C17H15ClN2O2 — CID 3436530

IUPACN-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H15ClN2O2/c18-14-8-4-5-9-15(14)19-17(22)12-10-16(21)20(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,22)
InChIKeyMNHKYILFRYVHFG-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.33
Rot. Bonds3

About N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 3436530) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID3436530
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H15ClN2O2/c18-14-8-4-5-9-15(14)19-17(22)12-10-16(21)20(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,22)
InChIKeyMNHKYILFRYVHFG-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 534602
1-Cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 623482
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-methylpropanamide
CID 772860
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571477
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112066
2-acetyl-N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 3603561
N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 5305509
1-(4-Chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6462900
1-(4-Chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 6463672
1-(4-Chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6497603
3-[4-(2-Chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2877411

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 3436530) is N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is MNHKYILFRYVHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-14-8-4-5-9-15(14)19-17(22)12-10-16(21)20(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3436530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).