3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide

C12H13F3N2O — CID 102779633

IUPAC3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3N2O/c1-6-2-3-16-10(6)12(18)17-11-8(14)4-7(13)5-9(11)15/h4-6,10,16H,2-3H2,1H3,(H,17,18)
InChIKeyBBDZFMNEZFRTPQ-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.04
Rot. Bonds2

About 3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide

3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 102779633) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
PubChem CID102779633
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C12H13F3N2O/c1-6-2-3-16-10(6)12(18)17-11-8(14)4-7(13)5-9(11)15/h4-6,10,16H,2-3H2,1H3,(H,17,18)
InChIKeyBBDZFMNEZFRTPQ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
CID 102779885
3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
CID 107641806
N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779613
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
methyl 2,4-difluoro-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102778214
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777994
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106740543
N-(2,6-difluoro-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 82819007
3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 114424428
N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107365880

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide (CID 102779633) is 3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1c(F)cc(F)cc1F.
What is the InChIKey of 3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is BBDZFMNEZFRTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-6-2-3-16-10(6)12(18)17-11-8(14)4-7(13)5-9(11)15/h4-6,10,16H,2-3H2,1H3,(H,17,18).
What are the key properties of 3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide?
3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).