N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H13ClF3N3O — CID 115624423

IUPACN-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H13ClF3N3O/c13-9-5-6-10(19-18-9)17-11(20)7-3-1-2-4-8(7)12(14,15)16/h5-8H,1-4H2,(H,17,19,20)
InChIKeyIHZOTOMSMFOUKX-UHFFFAOYSA-N
MW307.70 g/mol
LogP3.44
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115624423) has the molecular formula C12H13ClF3N3O and a molecular weight of 307.70 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115624423
Molecular FormulaC12H13ClF3N3O
Molecular Weight307.70 g/mol
Exact Mass307.07
IUPAC NameN-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H13ClF3N3O/c13-9-5-6-10(19-18-9)17-11(20)7-3-1-2-4-8(7)12(14,15)16/h5-8H,1-4H2,(H,17,19,20)
InChIKeyIHZOTOMSMFOUKX-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]benzoic acid
CID 119178941
N-(6-chloropyridazin-3-yl)pyrrolidine-2-carboxamide
CID 115626531
N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622450
N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 115624549
N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107620593
N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115606431
N-(2,6-difluoro-3-pyridinyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097944
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785
trans-(1S,2S)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51959187
N-[2-(chloromethyl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622765
cis-(1S,2R)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51959189
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107845636

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115624423) is N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(Cl)nn1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is IHZOTOMSMFOUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O/c13-9-5-6-10(19-18-9)17-11(20)7-3-1-2-4-8(7)12(14,15)16/h5-8H,1-4H2,(H,17,19,20).
What are the key properties of N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 307.70 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115624423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).