4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

C19H14F3N3O2 — CID 134801163

IUPAC4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)nn1
InChIInChI=1S/C19H14F3N3O2/c1-27-17-10-9-16(24-25-17)12-5-7-13(8-6-12)18(26)23-15-4-2-3-14(11-15)19(20,21)22/h2-11H,1H3,(H,23,26)
InChIKeyFEPBSCSZQGKWIM-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.42
Rot. Bonds4

About 4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 134801163) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID134801163
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)nn1
InChIInChI=1S/C19H14F3N3O2/c1-27-17-10-9-16(24-25-17)12-5-7-13(8-6-12)18(26)23-15-4-2-3-14(11-15)19(20,21)22/h2-11H,1H3,(H,23,26)
InChIKeyFEPBSCSZQGKWIM-UHFFFAOYSA-N
XLogP4.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.42
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-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 134801163) is 4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is COc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)nn1.
What is the InChIKey of 4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FEPBSCSZQGKWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-27-17-10-9-16(24-25-17)12-5-7-13(8-6-12)18(26)23-15-4-2-3-14(11-15)19(20,21)22/h2-11H,1H3,(H,23,26).
What are the key properties of 4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 373.33 g/mol, XLogP of 4.42, 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-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 134801163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).