N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C17H14Cl2N2O2 — CID 2964337

IUPACN-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H14Cl2N2O2/c18-12-6-7-14(19)15(9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,20,23)
InChIKeyIUOCJKTYUVRXQV-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.98
Rot. Bonds3

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

N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 2964337) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID2964337
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC NameN-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H14Cl2N2O2/c18-12-6-7-14(19)15(9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,20,23)
InChIKeyIUOCJKTYUVRXQV-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.98
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
N~1~,N~3~-Bis(2,5-dichlorophenyl)propanediamide
CID 2388897
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571477
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112066
N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 5305509
1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2926635
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
1-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidine-2,5-dione
CID 9906677
N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3436530
1-cyclohexyl-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 534606

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 2964337) is N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is IUOCJKTYUVRXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-12-6-7-14(19)15(9-12)20-17(23)11-8-16(22)21(10-11)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,20,23).
What are the key properties of N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 349.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2964337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).