N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide

C24H20N4O4 — CID 2561395

IUPACN-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C24H20N4O4/c1-32-21-9-5-4-8-19(21)26-23(30)15-10-12-16(13-11-15)25-22(29)14-20-17-6-2-3-7-18(17)24(31)28-27-20/h2-13H,14H2,1H3,(H,25,29)(H,26,30)(H,28,31)
InChIKeyGIGATZCUGJGNBE-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.37
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide (PubChem CID 2561395) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide
PubChem CID2561395
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C24H20N4O4/c1-32-21-9-5-4-8-19(21)26-23(30)15-10-12-16(13-11-15)25-22(29)14-20-17-6-2-3-7-18(17)24(31)28-27-20/h2-13H,14H2,1H3,(H,25,29)(H,26,30)(H,28,31)
InChIKeyGIGATZCUGJGNBE-UHFFFAOYSA-N
XLogP3.37
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide (CID 2561395) is N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide?
The InChIKey is GIGATZCUGJGNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-32-21-9-5-4-8-19(21)26-23(30)15-10-12-16(13-11-15)25-22(29)14-20-17-6-2-3-7-18(17)24(31)28-27-20/h2-13H,14H2,1H3,(H,25,29)(H,26,30)(H,28,31).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide has a molecular weight of 428.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 2561395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).