N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

C24H21N3O2 — CID 1292350

IUPACN-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)c(C)c1
InChIInChI=1S/C24H21N3O2/c1-15-8-13-21(16(2)14-15)25-23(28)18-11-9-17(10-12-18)22-19-6-4-5-7-20(19)24(29)27(3)26-22/h4-14H,1-3H3,(H,25,28)
InChIKeyHEFHAQSWCCSJNZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.47
Rot. Bonds3

About N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (PubChem CID 1292350) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
PubChem CID1292350
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)c(C)c1
InChIInChI=1S/C24H21N3O2/c1-15-8-13-21(16(2)14-15)25-23(28)18-11-9-17(10-12-18)22-19-6-4-5-7-20(19)24(29)27(3)26-22/h4-14H,1-3H3,(H,25,28)
InChIKeyHEFHAQSWCCSJNZ-UHFFFAOYSA-N
XLogP4.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (CID 1292350) is N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The InChIKey is HEFHAQSWCCSJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15-8-13-21(16(2)14-15)25-23(28)18-11-9-17(10-12-18)22-19-6-4-5-7-20(19)24(29)27(3)26-22/h4-14H,1-3H3,(H,25,28).
What are the key properties of N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is sourced from PubChem (CID 1292350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).