4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide

C20H18ClN3O2 — CID 145260272

IUPAC4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(C)c(=O)n(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H18ClN3O2/c1-13-11-18(15-5-7-16(8-6-15)19(25)22-2)23-24(20(13)26)12-14-3-9-17(21)10-4-14/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyVOHSFUOYQQWRRI-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.28
Rot. Bonds4

About 4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide

4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide (PubChem CID 145260272) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide
PubChem CID145260272
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(C)c(=O)n(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H18ClN3O2/c1-13-11-18(15-5-7-16(8-6-15)19(25)22-2)23-24(20(13)26)12-14-3-9-17(21)10-4-14/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyVOHSFUOYQQWRRI-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde
CID 145260273
4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide
CID 148783053
3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide
CID 91871484
2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
CID 5239334
6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one
CID 145260289
1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587425
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-N-methylbenzamide
CID 72893419
3-[[4-[[3-(3,5-dichlorophenyl)-5-(4-ethylphenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 58626801
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 91871540
3-(4-tert-butylphenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 698991
4-[[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 27393082
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide (CID 145260272) is 4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(C)c(=O)n(Cc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide?
The InChIKey is VOHSFUOYQQWRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-11-18(15-5-7-16(8-6-15)19(25)22-2)23-24(20(13)26)12-14-3-9-17(21)10-4-14/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide?
4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide has a molecular weight of 367.84 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 145260272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).