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

C20H15ClF3N3O2 — CID 134801938

IUPAC2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(Cl)c2)nn1
InChIInChI=1S/C20H15ClF3N3O2/c1-29-18-9-8-17(26-27-18)13-4-7-15(16(21)10-13)19(28)25-11-12-2-5-14(6-3-12)20(22,23)24/h2-10H,11H2,1H3,(H,25,28)
InChIKeyOHQOFUATJWKLSS-UHFFFAOYSA-N
MW421.81 g/mol
LogP4.75
Rot. Bonds5

About 2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 134801938) has the molecular formula C20H15ClF3N3O2 and a molecular weight of 421.81 g/mol. Its IUPAC name is 2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID134801938
Molecular FormulaC20H15ClF3N3O2
Molecular Weight421.81 g/mol
Exact Mass421.08
IUPAC Name2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(Cl)c2)nn1
InChIInChI=1S/C20H15ClF3N3O2/c1-29-18-9-8-17(26-27-18)13-4-7-15(16(21)10-13)19(28)25-11-12-2-5-14(6-3-12)20(22,23)24/h2-10H,11H2,1H3,(H,25,28)
InChIKeyOHQOFUATJWKLSS-UHFFFAOYSA-N
XLogP4.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.81
LogP ≤ 54.75
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-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 134801938) is 2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(Cl)c2)nn1.
What is the InChIKey of 2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is OHQOFUATJWKLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O2/c1-29-18-9-8-17(26-27-18)13-4-7-15(16(21)10-13)19(28)25-11-12-2-5-14(6-3-12)20(22,23)24/h2-10H,11H2,1H3,(H,25,28).
What are the key properties of 2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 421.81 g/mol, XLogP of 4.75, 5 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-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134801938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).