1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

C19H16ClN3O2 — CID 86913721

IUPAC1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C19H16ClN3O2/c20-17-7-6-16(8-14(17)10-21)22-19(25)15-9-18(24)23(12-15)11-13-4-2-1-3-5-13/h1-8,15H,9,11-12H2,(H,22,25)
InChIKeyWOOCHZYNDPROAA-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.20
Rot. Bonds4

About 1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 86913721) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID86913721
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C19H16ClN3O2/c20-17-7-6-16(8-14(17)10-21)22-19(25)15-9-18(24)23(12-15)11-13-4-2-1-3-5-13/h1-8,15H,9,11-12H2,(H,22,25)
InChIKeyWOOCHZYNDPROAA-UHFFFAOYSA-N
XLogP3.20
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529257
N-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183590
1-benzyl-N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108923152
1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389
N-(4-chloro-3-cyanophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55480879
1-benzyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25163321
N-(3,4-dichlorophenyl)-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183358
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
(3R)-1-benzyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 26954259
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 42996257

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (CID 86913721) is 1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is N#Cc1cc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)ccc1Cl.
What is the InChIKey of 1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WOOCHZYNDPROAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-17-7-6-16(8-14(17)10-21)22-19(25)15-9-18(24)23(12-15)11-13-4-2-1-3-5-13/h1-8,15H,9,11-12H2,(H,22,25).
What are the key properties of 1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86913721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).