N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide

C12H14F2N2O — CID 103586065

IUPACN-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(F)c(NC(=O)C2CCCN2)cc1F
InChIInChI=1S/C12H14F2N2O/c1-7-5-9(14)11(6-8(7)13)16-12(17)10-3-2-4-15-10/h5-6,10,15H,2-4H2,1H3,(H,16,17)
InChIKeyVFSXFZHYLZKTRM-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.96
Rot. Bonds2

About N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide

N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 103586065) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID103586065
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(F)c(NC(=O)C2CCCN2)cc1F
InChIInChI=1S/C12H14F2N2O/c1-7-5-9(14)11(6-8(7)13)16-12(17)10-3-2-4-15-10/h5-6,10,15H,2-4H2,1H3,(H,16,17)
InChIKeyVFSXFZHYLZKTRM-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-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

N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 89036511
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
(2S)-N-(5-cyano-3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 61178083
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 110481295
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide (CID 103586065) is N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide is Cc1cc(F)c(NC(=O)C2CCCN2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is VFSXFZHYLZKTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-7-5-9(14)11(6-8(7)13)16-12(17)10-3-2-4-15-10/h5-6,10,15H,2-4H2,1H3,(H,16,17).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide?
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103586065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).