1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C12H12F2N2O2 — CID 168697391

IUPAC1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C12H12F2N2O2/c13-9-2-1-7(10(14)4-9)5-16-6-8(12(15)18)3-11(16)17/h1-2,4,8H,3,5-6H2,(H2,15,18)
InChIKeyYZCKJAHAIMBZSX-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.80
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697391) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168697391
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C12H12F2N2O2/c13-9-2-1-7(10(14)4-9)5-16-6-8(12(15)18)3-11(16)17/h1-2,4,8H,3,5-6H2,(H2,15,18)
InChIKeyYZCKJAHAIMBZSX-UHFFFAOYSA-N
XLogP0.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168697402
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
1-[[3-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697437
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
(3S)-1-[(4-fluorophenyl)methyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
CID 125126392
1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192525
1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 168697461
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697385
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 112830835

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 168697391) is 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(Cc2ccc(F)cc2F)C1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YZCKJAHAIMBZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c13-9-2-1-7(10(14)4-9)5-16-6-8(12(15)18)3-11(16)17/h1-2,4,8H,3,5-6H2,(H2,15,18).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).