4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide

C23H19N3O2 — CID 2203185

IUPAC4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C23H19N3O2/c1-15-7-13-18(14-8-15)24-22(27)17-11-9-16(10-12-17)21-19-5-3-4-6-20(19)23(28)26(2)25-21/h3-14H,1-2H3,(H,24,27)
InChIKeyMRBXVLFQBKNLCV-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.16
Rot. Bonds3

About 4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide

4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide (PubChem CID 2203185) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide
PubChem CID2203185
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C23H19N3O2/c1-15-7-13-18(14-8-15)24-22(27)17-11-9-16(10-12-17)21-19-5-3-4-6-20(19)23(28)26(2)25-21/h3-14H,1-2H3,(H,24,27)
InChIKeyMRBXVLFQBKNLCV-UHFFFAOYSA-N
XLogP4.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide (CID 2203185) is 4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide?
The InChIKey is MRBXVLFQBKNLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-7-13-18(14-8-15)24-22(27)17-11-9-16(10-12-17)21-19-5-3-4-6-20(19)23(28)26(2)25-21/h3-14H,1-2H3,(H,24,27).
What are the key properties of 4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide?
4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide has a molecular weight of 369.42 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 2203185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).