4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide

C14H12F3N3O2 — CID 134801689

IUPAC4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nn1
InChIInChI=1S/C14H12F3N3O2/c1-22-12-7-6-11(19-20-12)9-2-4-10(5-3-9)13(21)18-8-14(15,16)17/h2-7H,8H2,1H3,(H,18,21)
InChIKeyPORSWQZMUJOHPP-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.44
Rot. Bonds4

About 4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide

4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 134801689) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID134801689
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nn1
InChIInChI=1S/C14H12F3N3O2/c1-22-12-7-6-11(19-20-12)9-2-4-10(5-3-9)13(21)18-8-14(15,16)17/h2-7H,8H2,1H3,(H,18,21)
InChIKeyPORSWQZMUJOHPP-UHFFFAOYSA-N
XLogP2.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 134801689) is 4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc(-c2ccc(C(=O)NCC(F)(F)F)cc2)nn1.
What is the InChIKey of 4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PORSWQZMUJOHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-22-12-7-6-11(19-20-12)9-2-4-10(5-3-9)13(21)18-8-14(15,16)17/h2-7H,8H2,1H3,(H,18,21).
What are the key properties of 4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 311.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 134801689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).