2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide

C20H17Cl2N3O2 — CID 18438700

IUPAC2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nn1
InChIInChI=1S/C20H17Cl2N3O2/c1-27-19-9-8-18(24-25-19)14-6-7-17(22)15(12-14)20(26)23-11-10-13-4-2-3-5-16(13)21/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeyXADKLAWJJKURMF-UHFFFAOYSA-N
MW402.28 g/mol
LogP4.43
Rot. Bonds6

About 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 18438700) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
PubChem CID18438700
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nn1
InChIInChI=1S/C20H17Cl2N3O2/c1-27-19-9-8-18(24-25-19)14-6-7-17(22)15(12-14)20(26)23-11-10-13-4-2-3-5-16(13)21/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeyXADKLAWJJKURMF-UHFFFAOYSA-N
XLogP4.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.43
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-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide (CID 18438700) is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nn1.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is XADKLAWJJKURMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c1-27-19-9-8-18(24-25-19)14-6-7-17(22)15(12-14)20(26)23-11-10-13-4-2-3-5-16(13)21/h2-9,12H,10-11H2,1H3,(H,23,26).
What are the key properties of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide?
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 402.28 g/mol, XLogP of 4.43, 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-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 18438700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).