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

C18H13ClFN3O2 — CID 134801168

IUPAC2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3)c(Cl)c2)nn1
InChIInChI=1S/C18H13ClFN3O2/c1-25-17-9-8-16(22-23-17)11-2-7-14(15(19)10-11)18(24)21-13-5-3-12(20)4-6-13/h2-10H,1H3,(H,21,24)
InChIKeyIWSGNWOQPGJQLO-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.20
Rot. Bonds4

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

2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 134801168) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
PubChem CID134801168
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3)c(Cl)c2)nn1
InChIInChI=1S/C18H13ClFN3O2/c1-25-17-9-8-16(22-23-17)11-2-7-14(15(19)10-11)18(24)21-13-5-3-12(20)4-6-13/h2-10H,1H3,(H,21,24)
InChIKeyIWSGNWOQPGJQLO-UHFFFAOYSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide (CID 134801168) is 2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3)c(Cl)c2)nn1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is IWSGNWOQPGJQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-25-17-9-8-16(22-23-17)11-2-7-14(15(19)10-11)18(24)21-13-5-3-12(20)4-6-13/h2-10H,1H3,(H,21,24).
What are the key properties of 2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 357.77 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 134801168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).