2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide

C19H15Cl2N3O2 — CID 11417834

IUPAC2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl
InChIInChI=1S/C19H15Cl2N3O2/c20-15-4-2-1-3-12(15)9-10-22-19(26)14-11-13(5-6-16(14)21)17-7-8-18(25)24-23-17/h1-8,11H,9-10H2,(H,22,26)(H,24,25)
InChIKeyFLNNUJLBMFKDDG-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.72
Rot. Bonds5

About 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide (PubChem CID 11417834) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide
PubChem CID11417834
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl
InChIInChI=1S/C19H15Cl2N3O2/c20-15-4-2-1-3-12(15)9-10-22-19(26)14-11-13(5-6-16(14)21)17-7-8-18(25)24-23-17/h1-8,11H,9-10H2,(H,22,26)(H,24,25)
InChIKeyFLNNUJLBMFKDDG-UHFFFAOYSA-N
XLogP3.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4685291
Desmethylazelastine
CID 162558
4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one
CID 15959119
N-{2-[2-(1-benzylpropylidene)hydrazino]-2-oxoethyl}-2,4-dichlorobenzamide
CID 6529588
3-Chloro-N-[1-methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-benzamide
CID 9637909
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](4-methylphenyl)methanone
CID 1486796
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](phenyl)methanone
CID 1488624
1-(3,4-Dichlorobenzoyl)-3-phenyl-1,4,5,6-tetrahydropyridazine
CID 3831396
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 11199715
N-benzoyl-5-(-2'-chloro phenyl)-3-phenylpyrazoline (2b)
CID 84973180
(4-chlorophenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484237
(3-chlorophenyl)[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1486794

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide (CID 11417834) is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide is O=C(NCCc1ccccc1Cl)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide?
The InChIKey is FLNNUJLBMFKDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c20-15-4-2-1-3-12(15)9-10-22-19(26)14-11-13(5-6-16(14)21)17-7-8-18(25)24-23-17/h1-8,11H,9-10H2,(H,22,26)(H,24,25).
What are the key properties of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide?
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide has a molecular weight of 388.25 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 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-oxo-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 11417834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).