cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate

C18H17F4N3O2 — CID 130471307

IUPACcyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F)OC1CCCCC1
InChIInChI=1S/C18H17F4N3O2/c19-12-8-11(9-23-10-12)14-6-7-15(16(24-14)18(20,21)22)25-17(26)27-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,25,26)
InChIKeyHPELQMNMZCESSM-UHFFFAOYSA-N
MW383.35 g/mol
LogP5.18
Rot. Bonds3

About cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate

cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate (PubChem CID 130471307) has the molecular formula C18H17F4N3O2 and a molecular weight of 383.35 g/mol. Its IUPAC name is cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate
PubChem CID130471307
Molecular FormulaC18H17F4N3O2
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Namecyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F)OC1CCCCC1
InChIInChI=1S/C18H17F4N3O2/c19-12-8-11(9-23-10-12)14-6-7-15(16(24-14)18(20,21)22)25-17(26)27-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,25,26)
InChIKeyHPELQMNMZCESSM-UHFFFAOYSA-N
XLogP5.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.35
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473393
3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 130473001
2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473225
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide
CID 130473217
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 130472965
(E)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]but-2-enamide
CID 130472969
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 130471345
1-(2,2-dimethylpropyl)-3-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]urea
CID 130471303
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide
CID 159910336
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 127539075
N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 145373033

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate?
The IUPAC name of cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate (CID 130471307) is cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate?
The canonical SMILES for cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate is O=C(Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate?
The InChIKey is HPELQMNMZCESSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O2/c19-12-8-11(9-23-10-12)14-6-7-15(16(24-14)18(20,21)22)25-17(26)27-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,25,26).
What are the key properties of cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate?
cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate has a molecular weight of 383.35 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 130471307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).