2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

C19H15F4N3O2 — CID 123721223

IUPAC2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)ccc1OCC1C=CC(F)=CC1
InChIInChI=1S/C19H15F4N3O2/c20-14-4-1-12(2-5-14)11-28-17-6-3-13(19(21,22)23)9-16(17)18(27)26-15-7-8-24-25-10-15/h1,3-10,12H,2,11H2,(H,24,26,27)
InChIKeyGXAPHCZKRGAGQI-UHFFFAOYSA-N
MW393.34 g/mol
LogP4.56
Rot. Bonds5

About 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide

2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 123721223) has the molecular formula C19H15F4N3O2 and a molecular weight of 393.34 g/mol. Its IUPAC name is 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID123721223
Molecular FormulaC19H15F4N3O2
Molecular Weight393.34 g/mol
Exact Mass393.11
IUPAC Name2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)ccc1OCC1C=CC(F)=CC1
InChIInChI=1S/C19H15F4N3O2/c20-14-4-1-12(2-5-14)11-28-17-6-3-13(19(21,22)23)9-16(17)18(27)26-15-7-8-24-25-10-15/h1,3-10,12H,2,11H2,(H,24,26,27)
InChIKeyGXAPHCZKRGAGQI-UHFFFAOYSA-N
XLogP4.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide (CID 123721223) is 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is O=C(Nc1ccnnc1)c1cc(C(F)(F)F)ccc1OCC1C=CC(F)=CC1.
What is the InChIKey of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is GXAPHCZKRGAGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O2/c20-14-4-1-12(2-5-14)11-28-17-6-3-13(19(21,22)23)9-16(17)18(27)26-15-7-8-24-25-10-15/h1,3-10,12H,2,11H2,(H,24,26,27).
What are the key properties of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide?
2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 393.34 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]-N-pyridazin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 123721223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).