N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

C25H23F2N3O2 — CID 86897676

IUPACN-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccn1)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C25H23F2N3O2/c1-17(22-9-5-6-12-28-22)29(15-18-7-3-2-4-8-18)25(32)19-13-24(31)30(16-19)23-11-10-20(26)14-21(23)27/h2-12,14,17,19H,13,15-16H2,1H3
InChIKeyRHOMHNLOHOTYFO-UHFFFAOYSA-N
MW435.47 g/mol
LogP4.50
Rot. Bonds6

About N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 86897676) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID86897676
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC NameN-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccn1)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C25H23F2N3O2/c1-17(22-9-5-6-12-28-22)29(15-18-7-3-2-4-8-18)25(32)19-13-24(31)30(16-19)23-11-10-20(26)14-21(23)27/h2-12,14,17,19H,13,15-16H2,1H3
InChIKeyRHOMHNLOHOTYFO-UHFFFAOYSA-N
XLogP4.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55617951
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46422767
(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9351346
N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 17310597
4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 113190652
1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113190668
1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55887495
N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684524
(2S)-2-[[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693037
5-[[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221905

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (CID 86897676) is N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is CC(c1ccccn1)N(Cc1ccccc1)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is RHOMHNLOHOTYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c1-17(22-9-5-6-12-28-22)29(15-18-7-3-2-4-8-18)25(32)19-13-24(31)30(16-19)23-11-10-20(26)14-21(23)27/h2-12,14,17,19H,13,15-16H2,1H3.
What are the key properties of N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 86897676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).