(1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide

C17H13F5N2O — CID 169175808

IUPAC(1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC2(F)F)cc1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H13F5N2O/c1-9-2-4-11(24-15(25)13-7-16(13,18)19)6-12(9)14-5-3-10(8-23-14)17(20,21)22/h2-6,8,13H,7H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyOURMVEZKNPAKKE-CYBMUJFWSA-N
MW356.29 g/mol
LogP4.67
Rot. Bonds3

About (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide

(1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 169175808) has the molecular formula C17H13F5N2O and a molecular weight of 356.29 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide
PubChem CID169175808
Molecular FormulaC17H13F5N2O
Molecular Weight356.29 g/mol
Exact Mass356.09
IUPAC Name(1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC2(F)F)cc1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H13F5N2O/c1-9-2-4-11(24-15(25)13-7-16(13,18)19)6-12(9)14-5-3-10(8-23-14)17(20,21)22/h2-6,8,13H,7H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyOURMVEZKNPAKKE-CYBMUJFWSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

(1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 169176882
N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169175846
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide
CID 169176404
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 58683977
2,2-difluoro-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 144539030
(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115800
N-(4-hydroxy-3-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115751923
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 134441971
(3S,5S,8S)-N-(4-methyl-3-pyridin-2-ylphenyl)-7-(2,2,2-trifluoroethyl)-7-azatricyclo[3.2.1.01,3]octane-8-carboxamide
CID 169177101

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide (CID 169175808) is (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)[C@H]2CC2(F)F)cc1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is OURMVEZKNPAKKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H13F5N2O/c1-9-2-4-11(24-15(25)13-7-16(13,18)19)6-12(9)14-5-3-10(8-23-14)17(20,21)22/h2-6,8,13H,7H2,1H3,(H,24,25)/t13-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide?
(1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 356.29 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 169175808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).