N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C22H23N3O2 — CID 113192006

IUPACN-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2ccc(C#N)cc2)C1
InChIInChI=1S/C22H23N3O2/c1-16(2)24(14-18-6-4-3-5-7-18)22(27)19-12-21(26)25(15-19)20-10-8-17(13-23)9-11-20/h3-11,16,19H,12,14-15H2,1-2H3
InChIKeyJFGLTABTUGRGTI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.35
Rot. Bonds5

About N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 113192006) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID113192006
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2ccc(C#N)cc2)C1
InChIInChI=1S/C22H23N3O2/c1-16(2)24(14-18-6-4-3-5-7-18)22(27)19-12-21(26)25(15-19)20-10-8-17(13-23)9-11-20/h3-11,16,19H,12,14-15H2,1-2H3
InChIKeyJFGLTABTUGRGTI-UHFFFAOYSA-N
XLogP3.35
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(3-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191914
N-benzyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186693
N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684524
N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113190164
N-benzyl-1-(2,6-difluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192275
(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9352300
N-[(4-cyanophenyl)methyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 134004309
(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9351346
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969205
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183539
N-benzyl-1-[(2-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183447

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 113192006) is N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2ccc(C#N)cc2)C1.
What is the InChIKey of N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is JFGLTABTUGRGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(2)24(14-18-6-4-3-5-7-18)22(27)19-12-21(26)25(15-19)20-10-8-17(13-23)9-11-20/h3-11,16,19H,12,14-15H2,1-2H3.
What are the key properties of N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113192006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).