4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide

C12H13F3N2O — CID 120955050

IUPAC4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2CC(F)(F)CN2)c1
InChIInChI=1S/C12H13F3N2O/c1-7-2-8(13)4-9(3-7)17-11(18)10-5-12(14,15)6-16-10/h2-4,10,16H,5-6H2,1H3,(H,17,18)
InChIKeyTYVWMKLUWALKID-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.07
Rot. Bonds2

About 4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide

4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 120955050) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID120955050
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2CC(F)(F)CN2)c1
InChIInChI=1S/C12H13F3N2O/c1-7-2-8(13)4-9(3-7)17-11(18)10-5-12(14,15)6-16-10/h2-4,10,16H,5-6H2,1H3,(H,17,18)
InChIKeyTYVWMKLUWALKID-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120954672
N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide
CID 79049402
4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120955356
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694
N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120954679
(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436448
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79050344
4,4-difluoro-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120954872
2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216210
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide (CID 120955050) is 4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide is Cc1cc(F)cc(NC(=O)C2CC(F)(F)CN2)c1.
What is the InChIKey of 4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is TYVWMKLUWALKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-7-2-8(13)4-9(3-7)17-11(18)10-5-12(14,15)6-16-10/h2-4,10,16H,5-6H2,1H3,(H,17,18).
What are the key properties of 4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide?
4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120955050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).