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

C18H17F3N2O3 — CID 123604699

IUPAC2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
SMILESCC1(Oc2cccc(O)c2)CC1(C)C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-16(10-17(16,2)26-13-5-3-4-12(24)9-13)15(25)23-11-6-7-22-14(8-11)18(19,20)21/h3-9,24H,10H2,1-2H3,(H,22,23,25)
InChIKeyZRRXGMNGASVJRE-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.99
Rot. Bonds4

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

2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 123604699) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
PubChem CID123604699
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
SMILESCC1(Oc2cccc(O)c2)CC1(C)C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-16(10-17(16,2)26-13-5-3-4-12(24)9-13)15(25)23-11-6-7-22-14(8-11)18(19,20)21/h3-9,24H,10H2,1-2H3,(H,22,23,25)
InChIKeyZRRXGMNGASVJRE-UHFFFAOYSA-N
XLogP3.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
CID 118730959
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 118160738
2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol
CID 162732154
2-[3-[(2,2-difluoro-1-methylcyclopropanecarbonyl)amino]phenoxy]acetic acid
CID 122107685
3-(4-bromo-3-methylphenoxy)-2,2,3-trimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]butanamide
CID 162732177
N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337888
(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
CID 122049884
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005996
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 163252999

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide (CID 123604699) is 2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide is CC1(Oc2cccc(O)c2)CC1(C)C(=O)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is ZRRXGMNGASVJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-16(10-17(16,2)26-13-5-3-4-12(24)9-13)15(25)23-11-6-7-22-14(8-11)18(19,20)21/h3-9,24H,10H2,1-2H3,(H,22,23,25).
What are the key properties of 2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide?
2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123604699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).