3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide

C24H15F6N3O3 — CID 168803266

IUPAC3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide
SMILESO=C(NOCc1ccc(C(F)(F)F)cc1)c1c(Oc2cccc(C(F)(F)F)c2)nnc2ccccc12
InChIInChI=1S/C24H15F6N3O3/c25-23(26,27)15-10-8-14(9-11-15)13-35-33-21(34)20-18-6-1-2-7-19(18)31-32-22(20)36-17-5-3-4-16(12-17)24(28,29)30/h1-12H,13H2,(H,33,34)
InChIKeySSETZMZVFPNJPM-UHFFFAOYSA-N
MW507.39 g/mol
LogP6.32
Rot. Bonds6

About 3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide

3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide (PubChem CID 168803266) has the molecular formula C24H15F6N3O3 and a molecular weight of 507.39 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide
PubChem CID168803266
Molecular FormulaC24H15F6N3O3
Molecular Weight507.39 g/mol
Exact Mass507.10
IUPAC Name3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide
SMILESO=C(NOCc1ccc(C(F)(F)F)cc1)c1c(Oc2cccc(C(F)(F)F)c2)nnc2ccccc12
InChIInChI=1S/C24H15F6N3O3/c25-23(26,27)15-10-8-14(9-11-15)13-35-33-21(34)20-18-6-1-2-7-19(18)31-32-22(20)36-17-5-3-4-16(12-17)24(28,29)30/h1-12H,13H2,(H,33,34)
InChIKeySSETZMZVFPNJPM-UHFFFAOYSA-N
XLogP6.32
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.39
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[3-(trifluoromethyl)phenoxy]cinnoline-4-carboxamide
CID 162357606
3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide
CID 162357806
N-(2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-3-[3-(trifluoromethyl)phenoxy]cinnoline-4-carboxamide
CID 162357615
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide
CID 162357565
[3-(trifluoromethyl)phenyl] 3-phenylcinnoline-4-carboxylate
CID 2822751
methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate
CID 162357650
1-benzyl-4-[3-(trifluoromethyl)phenoxy]phthalazine
CID 6404481
ethyl 3-[3-(trifluoromethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
CID 162385369
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
N-[(1S)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl]-7-methyl-3-[3-(trifluoromethyl)phenoxy]cinnoline-4-carboxamide
CID 168803267
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxamide
CID 10137595

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide (CID 168803266) is 3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide is O=C(NOCc1ccc(C(F)(F)F)cc1)c1c(Oc2cccc(C(F)(F)F)c2)nnc2ccccc12.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide?
The InChIKey is SSETZMZVFPNJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F6N3O3/c25-23(26,27)15-10-8-14(9-11-15)13-35-33-21(34)20-18-6-1-2-7-19(18)31-32-22(20)36-17-5-3-4-16(12-17)24(28,29)30/h1-12H,13H2,(H,33,34).
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide?
3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide has a molecular weight of 507.39 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide is sourced from PubChem (CID 168803266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).