N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide

C23H19N3O2 — CID 2035723

IUPACN-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-25(18-8-4-3-5-9-18)22(27)17-14-12-16(13-15-17)21-19-10-6-7-11-20(19)23(28)26(2)24-21/h3-15H,1-2H3
InChIKeyFZHUQFSKCOYHTM-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.88
Rot. Bonds3

About N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide

N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide (PubChem CID 2035723) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide
PubChem CID2035723
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-25(18-8-4-3-5-9-18)22(27)17-14-12-16(13-15-17)21-19-10-6-7-11-20(19)23(28)26(2)24-21/h3-15H,1-2H3
InChIKeyFZHUQFSKCOYHTM-UHFFFAOYSA-N
XLogP3.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide?
The IUPAC name of N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide (CID 2035723) is N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide is CN(C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)c1ccccc1.
What is the InChIKey of N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide?
The InChIKey is FZHUQFSKCOYHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-25(18-8-4-3-5-9-18)22(27)17-14-12-16(13-15-17)21-19-10-6-7-11-20(19)23(28)26(2)24-21/h3-15H,1-2H3.
What are the key properties of N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide?
N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)-N-phenylbenzamide is sourced from PubChem (CID 2035723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).