3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide

C12H11F5N2O — CID 102779885

IUPAC3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H11F5N2O/c1-4-2-3-18-10(4)12(20)19-11-8(16)6(14)5(13)7(15)9(11)17/h4,10,18H,2-3H2,1H3,(H,19,20)
InChIKeyYYEUTYYOKNICSV-UHFFFAOYSA-N
MW294.22 g/mol
LogP2.32
Rot. Bonds2

About 3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide

3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 102779885) has the molecular formula C12H11F5N2O and a molecular weight of 294.22 g/mol. Its IUPAC name is 3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
PubChem CID102779885
Molecular FormulaC12H11F5N2O
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC Name3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H11F5N2O/c1-4-2-3-18-10(4)12(20)19-11-8(16)6(14)5(13)7(15)9(11)17/h4,10,18H,2-3H2,1H3,(H,19,20)
InChIKeyYYEUTYYOKNICSV-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 102779633
3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
CID 107641806
N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779613
N-(2,6-difluoro-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 82819007
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778414
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 102779763
3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
methyl 2,4-difluoro-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102778214
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide (CID 102779885) is 3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is YYEUTYYOKNICSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N2O/c1-4-2-3-18-10(4)12(20)19-11-8(16)6(14)5(13)7(15)9(11)17/h4,10,18H,2-3H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide?
3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 294.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).