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

C14H11ClF3N3O2 — CID 134801208

IUPAC2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC(F)(F)F)c(Cl)c2)nn1
InChIInChI=1S/C14H11ClF3N3O2/c1-23-12-5-4-11(20-21-12)8-2-3-9(10(15)6-8)13(22)19-7-14(16,17)18/h2-6H,7H2,1H3,(H,19,22)
InChIKeyYLKDOULFIJHTJG-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.10
Rot. Bonds4

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

2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 134801208) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID134801208
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC Name2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC(F)(F)F)c(Cl)c2)nn1
InChIInChI=1S/C14H11ClF3N3O2/c1-23-12-5-4-11(20-21-12)8-2-3-9(10(15)6-8)13(22)19-7-14(16,17)18/h2-6H,7H2,1H3,(H,19,22)
InChIKeyYLKDOULFIJHTJG-UHFFFAOYSA-N
XLogP3.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 134801208) is 2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc(-c2ccc(C(=O)NCC(F)(F)F)c(Cl)c2)nn1.
What is the InChIKey of 2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is YLKDOULFIJHTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c1-23-12-5-4-11(20-21-12)8-2-3-9(10(15)6-8)13(22)19-7-14(16,17)18/h2-6H,7H2,1H3,(H,19,22).
What are the key properties of 2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 345.71 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 134801208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).