N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide

C18H16N4O3 — CID 2666384

IUPACN-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C18H16N4O3/c1-11(23)19-12-6-5-7-13(10-12)20-17(24)16-14-8-3-4-9-15(14)18(25)22(2)21-16/h3-10H,1-2H3,(H,19,23)(H,20,24)
InChIKeyAXILLHXFUGXRCZ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.14
Rot. Bonds3

About N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 2666384) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID2666384
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C18H16N4O3/c1-11(23)19-12-6-5-7-13(10-12)20-17(24)16-14-8-3-4-9-15(14)18(25)22(2)21-16/h3-10H,1-2H3,(H,19,23)(H,20,24)
InChIKeyAXILLHXFUGXRCZ-UHFFFAOYSA-N
XLogP2.14
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 3525242
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
CID 31508107
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751
N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877
N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 8699316
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7942994
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 2678485
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4798591
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 2666384) is N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide is CC(=O)Nc1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is AXILLHXFUGXRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11(23)19-12-6-5-7-13(10-12)20-17(24)16-14-8-3-4-9-15(14)18(25)22(2)21-16/h3-10H,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2666384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).