2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide

C18H17F3N2O — CID 118160738

IUPAC2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccnc(C(F)(F)F)c2)C1c1ccccc1
InChIInChI=1S/C18H17F3N2O/c1-17(2)14(11-6-4-3-5-7-11)15(17)16(24)23-12-8-9-22-13(10-12)18(19,20)21/h3-10,14-15H,1-2H3,(H,22,23,24)
InChIKeyYUICYVAWOXZGBI-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.48
Rot. Bonds3

About 2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide

2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 118160738) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
PubChem CID118160738
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccnc(C(F)(F)F)c2)C1c1ccccc1
InChIInChI=1S/C18H17F3N2O/c1-17(2)14(11-6-4-3-5-7-11)15(17)16(24)23-12-8-9-22-13(10-12)18(19,20)21/h3-10,14-15H,1-2H3,(H,22,23,24)
InChIKeyYUICYVAWOXZGBI-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 160973620
trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
CID 118160761
trans-(1R,3R)-N-(5-fluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
CID 118160732
trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide
CID 118182243
(3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide
CID 134412480
trans-(1S,3S)-2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95389113
(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
CID 122049884
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 67473920
S-(naphthalen-1-yloxymethyl) N-[2-(trifluoromethyl)-4-pyridinyl]carbamothioate
CID 170235546
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 11716131
2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine
CID 114270222

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide (CID 118160738) is 2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2ccnc(C(F)(F)F)c2)C1c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is YUICYVAWOXZGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-17(2)14(11-6-4-3-5-7-11)15(17)16(24)23-12-8-9-22-13(10-12)18(19,20)21/h3-10,14-15H,1-2H3,(H,22,23,24).
What are the key properties of 2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide?
2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 118160738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).