3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide

C18H14ClN3O2 — CID 7593570

IUPAC3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)nn1
InChIInChI=1S/C18H14ClN3O2/c1-24-17-10-9-16(21-22-17)12-5-7-15(8-6-12)20-18(23)13-3-2-4-14(19)11-13/h2-11H,1H3,(H,20,23)
InChIKeyAALUAXUOTXAKCX-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.06
Rot. Bonds4

About 3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide

3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide (PubChem CID 7593570) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
PubChem CID7593570
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)nn1
InChIInChI=1S/C18H14ClN3O2/c1-24-17-10-9-16(21-22-17)12-5-7-15(8-6-12)20-18(23)13-3-2-4-14(19)11-13/h2-11H,1H3,(H,20,23)
InChIKeyAALUAXUOTXAKCX-UHFFFAOYSA-N
XLogP4.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
1-(2,4-dichlorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991264
3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593494
2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089392
1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991246
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7593583
2-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593562
N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 7422510
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800906

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide (CID 7593570) is 3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide is COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)nn1.
What is the InChIKey of 3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The InChIKey is AALUAXUOTXAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-24-17-10-9-16(21-22-17)12-5-7-15(8-6-12)20-18(23)13-3-2-4-14(19)11-13/h2-11H,1H3,(H,20,23).
What are the key properties of 3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide has a molecular weight of 339.78 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7593570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).