N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C17H12N4O2 — CID 26703210

IUPACN-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H12N4O2/c18-10-11-5-7-12(8-6-11)19-16(22)9-15-13-3-1-2-4-14(13)17(23)21-20-15/h1-8H,9H2,(H,19,22)(H,21,23)
InChIKeyXBSAVOVKWWGRCM-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.98
Rot. Bonds3

About N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 26703210) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID26703210
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H12N4O2/c18-10-11-5-7-12(8-6-11)19-16(22)9-15-13-3-1-2-4-14(13)17(23)21-20-15/h1-8H,9H2,(H,19,22)(H,21,23)
InChIKeyXBSAVOVKWWGRCM-UHFFFAOYSA-N
XLogP1.98
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 8832838
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 24668281
N-(4-cyclopentylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46547828
(2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789870
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4802653
methyl 2-chloro-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzoate
CID 167776226
2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 166198338
ethyl 4-[[2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]acetyl]amino]benzoate
CID 42570552
[2-(2-cyanoanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251491
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 26703210) is N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is N#Cc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is XBSAVOVKWWGRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-10-11-5-7-12(8-6-11)19-16(22)9-15-13-3-1-2-4-14(13)17(23)21-20-15/h1-8H,9H2,(H,19,22)(H,21,23).
What are the key properties of N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 304.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 26703210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).