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

C20H17Cl2N3O — CID 56658584

IUPAC2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nn1
InChIInChI=1S/C20H17Cl2N3O/c1-13-6-9-19(25-24-13)15-7-8-18(22)16(12-15)20(26)23-11-10-14-4-2-3-5-17(14)21/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeyREIPADPVLXOMRB-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.73
Rot. Bonds5

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

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide (PubChem CID 56658584) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide
PubChem CID56658584
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nn1
InChIInChI=1S/C20H17Cl2N3O/c1-13-6-9-19(25-24-13)15-7-8-18(22)16(12-15)20(26)23-11-10-14-4-2-3-5-17(14)21/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeyREIPADPVLXOMRB-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide (CID 56658584) is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nn1.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is REIPADPVLXOMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-13-6-9-19(25-24-13)15-7-8-18(22)16(12-15)20(26)23-11-10-14-4-2-3-5-17(14)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-methylpyridazin-3-yl)benzamide?
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 386.28 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 56658584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).