N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C18H18F3N3O2 — CID 71889282

IUPACN-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-2-1-4-14(15)16(25)24-12-6-8-13(9-7-12)26-17-22-10-3-11-23-17/h3,6-11,14-15H,1-2,4-5H2,(H,24,25)
InChIKeyIBKLADNAPGXLAL-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.58
Rot. Bonds4

About N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 71889282) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID71889282
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-2-1-4-14(15)16(25)24-12-6-8-13(9-7-12)26-17-22-10-3-11-23-17/h3,6-11,14-15H,1-2,4-5H2,(H,24,25)
InChIKeyIBKLADNAPGXLAL-UHFFFAOYSA-N
XLogP4.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583698
N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide
CID 71940361
cis-(1S,2R)-N-[4-(2-hydroxyethyl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 97078025
3-[4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 119252241
(3S)-2,2-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124852174
3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 119048744
N-(4-pyridin-2-yloxyphenyl)cyclopentanecarboxamide
CID 154837427
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95761691
N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107620593
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119581157
2-chloro-4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]benzoic acid
CID 119178941

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 71889282) is N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(Oc2ncccn2)cc1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is IBKLADNAPGXLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)15-5-2-1-4-14(15)16(25)24-12-6-8-13(9-7-12)26-17-22-10-3-11-23-17/h3,6-11,14-15H,1-2,4-5H2,(H,24,25).
What are the key properties of N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71889282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).