N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H13F5N2O — CID 82801087

IUPACN-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2(C(F)(F)F)CCNC2)c1F
InChIInChI=1S/C13H13F5N2O/c1-7-2-3-8(14)10(9(7)15)20-11(21)12(13(16,17)18)4-5-19-6-12/h2-3,19H,4-6H2,1H3,(H,20,21)
InChIKeyYPLUGWOGTXBYKT-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.75
Rot. Bonds2

About N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 82801087) has the molecular formula C13H13F5N2O and a molecular weight of 308.25 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID82801087
Molecular FormulaC13H13F5N2O
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2(C(F)(F)F)CCNC2)c1F
InChIInChI=1S/C13H13F5N2O/c1-7-2-3-8(14)10(9(7)15)20-11(21)12(13(16,17)18)4-5-19-6-12/h2-3,19H,4-6H2,1H3,(H,20,21)
InChIKeyYPLUGWOGTXBYKT-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 82818995
N-(4-fluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63720093
3-(trifluoromethyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63719915
N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710231
N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 83078951
N-(3-fluoro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79049706
N-(2,5-dichloro-4-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 104727096
1-amino-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1-carboxamide
CID 82818742
N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710418
1-carbamothioyl-N-(2,6-difluoro-3-methylphenyl)cyclopropane-1-carboxamide
CID 82818999
1-carbamothioyl-N-(2,6-difluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 82801520
N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709325

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 82801087) is N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1ccc(F)c(NC(=O)C2(C(F)(F)F)CCNC2)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is YPLUGWOGTXBYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O/c1-7-2-3-8(14)10(9(7)15)20-11(21)12(13(16,17)18)4-5-19-6-12/h2-3,19H,4-6H2,1H3,(H,20,21).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 308.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 82801087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).