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

C20H17ClFN3O2 — CID 134800894

IUPAC2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCc3ccc(F)cc3)c(Cl)c2)nn1
InChIInChI=1S/C20H17ClFN3O2/c1-27-19-9-8-18(24-25-19)14-4-7-16(17(21)12-14)20(26)23-11-10-13-2-5-15(22)6-3-13/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeyNORYQZLZAMJJFL-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.92
Rot. Bonds6

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

2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 134800894) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
PubChem CID134800894
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCc3ccc(F)cc3)c(Cl)c2)nn1
InChIInChI=1S/C20H17ClFN3O2/c1-27-19-9-8-18(24-25-19)14-4-7-16(17(21)12-14)20(26)23-11-10-13-2-5-15(22)6-3-13/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeyNORYQZLZAMJJFL-UHFFFAOYSA-N
XLogP3.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide (CID 134800894) is 2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(C(=O)NCCc3ccc(F)cc3)c(Cl)c2)nn1.
What is the InChIKey of 2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is NORYQZLZAMJJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-27-19-9-8-18(24-25-19)14-4-7-16(17(21)12-14)20(26)23-11-10-13-2-5-15(22)6-3-13/h2-9,12H,10-11H2,1H3,(H,23,26).
What are the key properties of 2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide?
2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 385.83 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 134800894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).