N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide

C13H16F2N2O — CID 82818995

IUPACN-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2(C)CCNC2)c1F
InChIInChI=1S/C13H16F2N2O/c1-8-3-4-9(14)11(10(8)15)17-12(18)13(2)5-6-16-7-13/h3-4,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyJMAUSQALHDSNMG-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.21
Rot. Bonds2

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

N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 82818995) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID82818995
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2(C)CCNC2)c1F
InChIInChI=1S/C13H16F2N2O/c1-8-3-4-9(14)11(10(8)15)17-12(18)13(2)5-6-16-7-13/h3-4,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyJMAUSQALHDSNMG-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82801087
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937
N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 66256845
1-amino-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1-carboxamide
CID 82818742
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
1-carbamothioyl-N-(2,6-difluoro-3-methylphenyl)cyclopropane-1-carboxamide
CID 82818999
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
1-carbamothioyl-N-(2,6-difluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 82801520
4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
CID 115564450

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide (CID 82818995) is N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide is Cc1ccc(F)c(NC(=O)C2(C)CCNC2)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is JMAUSQALHDSNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-3-4-9(14)11(10(8)15)17-12(18)13(2)5-6-16-7-13/h3-4,16H,5-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.21, 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-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 82818995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).