1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide

C15H17F3N2O3 — CID 127266189

IUPAC1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cccc(C(F)(F)F)c1O
InChIInChI=1S/C15H17F3N2O3/c1-19(2)14(23)11-7-4-8-20(11)13(22)9-5-3-6-10(12(9)21)15(16,17)18/h3,5-6,11,21H,4,7-8H2,1-2H3
InChIKeyJGSKMHZWZPMZRN-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.10
Rot. Bonds2

About 1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 127266189) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID127266189
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cccc(C(F)(F)F)c1O
InChIInChI=1S/C15H17F3N2O3/c1-19(2)14(23)11-7-4-8-20(11)13(22)9-5-3-6-10(12(9)21)15(16,17)18/h3,5-6,11,21H,4,7-8H2,1-2H3
InChIKeyJGSKMHZWZPMZRN-UHFFFAOYSA-N
XLogP2.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 107358837
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 79884124
N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 42940173
1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 167765690
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 18711890
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
[2-amino-3-(trifluoromethyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 18711855
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575372
(2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 97209312
N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
CID 134033098

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 127266189) is 1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1cccc(C(F)(F)F)c1O.
What is the InChIKey of 1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is JGSKMHZWZPMZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-19(2)14(23)11-7-4-8-20(11)13(22)9-5-3-6-10(12(9)21)15(16,17)18/h3,5-6,11,21H,4,7-8H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 127266189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).