2-(4-benzyl-1-oxophthalazin-2-yl)acetamide

C17H15N3O2 — CID 39890759

IUPAC2-(4-benzyl-1-oxophthalazin-2-yl)acetamide
SMILESNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H15N3O2/c18-16(21)11-20-17(22)14-9-5-4-8-13(14)15(19-20)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,21)
InChIKeyMFAXNVXFKWJBTQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.47
Rot. Bonds4

About 2-(4-benzyl-1-oxophthalazin-2-yl)acetamide

2-(4-benzyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 39890759) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(4-benzyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-1-oxophthalazin-2-yl)acetamide
PubChem CID39890759
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(4-benzyl-1-oxophthalazin-2-yl)acetamide
SMILESNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H15N3O2/c18-16(21)11-20-17(22)14-9-5-4-8-13(14)15(19-20)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,21)
InChIKeyMFAXNVXFKWJBTQ-UHFFFAOYSA-N
XLogP1.47
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-2-ethylphthalazin-1-one
CID 18336950
2-(4-chloro-1-oxophthalazin-2-yl)acetamide
CID 82388890
4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one
CID 146044386
4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one
CID 3529139
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
CID 6622629
(1E)-N-[2-(4-benzyl-1-oxophthalazin-2-yl)acetyl]-4-methylbenzenecarbohydrazonoyl chloride
CID 10694625
(2S,4S)-4-[[2-(4-benzyl-1-oxophthalazin-2-yl)acetyl]amino]pyrrolidine-2-carboxylic acid
CID 119073265
methyl (1E)-N-[2-(4-benzyl-1-oxophthalazin-2-yl)acetyl]-4-methylbenzenecarbohydrazonate
CID 10670771
N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875787
2-(4-ethyl-1-oxophthalazin-2-yl)acetate
CID 6946724
2-(3-benzyl-4-oxophthalazin-1-yl)acetate
CID 6944489
2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
CID 20875875

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of 2-(4-benzyl-1-oxophthalazin-2-yl)acetamide (CID 39890759) is 2-(4-benzyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for 2-(4-benzyl-1-oxophthalazin-2-yl)acetamide is NC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-(4-benzyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is MFAXNVXFKWJBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-16(21)11-20-17(22)14-9-5-4-8-13(14)15(19-20)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,21).
What are the key properties of 2-(4-benzyl-1-oxophthalazin-2-yl)acetamide?
2-(4-benzyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 39890759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).