N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide

C17H15N3O2 — CID 122191897

IUPACN-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H15N3O2/c1-11(21)18-15-9-5-2-6-12(15)10-16-13-7-3-4-8-14(13)17(22)20-19-16/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyGNRSTAJFUQFYAJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.47
Rot. Bonds3

About N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide

N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide (PubChem CID 122191897) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide
PubChem CID122191897
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H15N3O2/c1-11(21)18-15-9-5-2-6-12(15)10-16-13-7-3-4-8-14(13)17(22)20-19-16/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyGNRSTAJFUQFYAJ-UHFFFAOYSA-N
XLogP2.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
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-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 11709106
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789753
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
[2-(2-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251522
4-[(2-methylanilino)methyl]-2H-phthalazin-1-one
CID 20850439
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide (CID 122191897) is N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide?
The InChIKey is GNRSTAJFUQFYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11(21)18-15-9-5-2-6-12(15)10-16-13-7-3-4-8-14(13)17(22)20-19-16/h2-9H,10H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide?
N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 122191897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).