N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide

C17H13ClN2O3 — CID 139509999

IUPACN-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide
SMILESO=C1NC(=O)C(c2ccccc2)C1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c18-11-6-8-12(9-7-11)19-16(22)14-13(15(21)20-17(14)23)10-4-2-1-3-5-10/h1-9,13-14H,(H,19,22)(H,20,21,23)
InChIKeySKKUUGSYFCKHMM-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.33
Rot. Bonds3

About N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide

N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide (PubChem CID 139509999) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide
PubChem CID139509999
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide
SMILESO=C1NC(=O)C(c2ccccc2)C1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c18-11-6-8-12(9-7-11)19-16(22)14-13(15(21)20-17(14)23)10-4-2-1-3-5-10/h1-9,13-14H,(H,19,22)(H,20,21,23)
InChIKeySKKUUGSYFCKHMM-UHFFFAOYSA-N
XLogP2.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768
3-{4-[4-(4-Chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11589069
Tesicam
CID 30860
N-(3-chlorophenyl)-2-phenylacetamide
CID 307344
N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropanecarboxamide
CID 2933451
N-(4-chlorophenyl)-2-(4-phenylcyclohexyl)acetamide
CID 121325203
N-(3-chlorophenyl)-2-phenylcyclopropanecarboxamide
CID 2838070
5-chloro-1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide
CID 5328619
N-(4-chlorophenyl)-3-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzamide
CID 2905188
N-{2-[(allylamino)carbonyl]phenyl}-1-(4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2955407
N-(4-chlorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
CID 14460009
(1S,2R)-5'-chloro-2-phenyl-spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956377

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide (CID 139509999) is N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide is O=C1NC(=O)C(c2ccccc2)C1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is SKKUUGSYFCKHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c18-11-6-8-12(9-7-11)19-16(22)14-13(15(21)20-17(14)23)10-4-2-1-3-5-10/h1-9,13-14H,(H,19,22)(H,20,21,23).
What are the key properties of N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide?
N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 139509999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).