2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide

C23H20N4O4 — CID 17477729

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C23H20N4O4/c1-31-18-12-10-16(11-13-18)24-15-6-8-17(9-7-15)25-21(28)14-27-23(30)20-5-3-2-4-19(20)22(29)26-27/h2-13,24H,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyHDKBZAHXKNXYBW-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.08
Rot. Bonds6

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide (PubChem CID 17477729) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide
PubChem CID17477729
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C23H20N4O4/c1-31-18-12-10-16(11-13-18)24-15-6-8-17(9-7-15)25-21(28)14-27-23(30)20-5-3-2-4-19(20)22(29)26-27/h2-13,24H,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyHDKBZAHXKNXYBW-UHFFFAOYSA-N
XLogP3.08
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
CID 40711272
4-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzamide
CID 18162052
N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2083338
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]acetamide
CID 3948396
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 4845929
N-[4-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 37273272
N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9412227
(2-anilino-2-oxoethyl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2619355
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 17478588
N-[4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 78804551
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 91643960
1-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966479

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide (CID 17477729) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide is COc1ccc(Nc2ccc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2)cc1.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide?
The InChIKey is HDKBZAHXKNXYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-31-18-12-10-16(11-13-18)24-15-6-8-17(9-7-15)25-21(28)14-27-23(30)20-5-3-2-4-19(20)22(29)26-27/h2-13,24H,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide has a molecular weight of 416.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide is sourced from PubChem (CID 17477729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).