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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide
CID 18438692
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800971
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
3-chloro-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)benzamide
CID 41527647
N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134800856
2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134800894
N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134800900
4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 134801069
2-chloro-N-(4-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801168
N-[(3-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801201

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).