4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide

C17H15N3O2 — CID 3164041

IUPAC4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H15N3O2/c21-16-14-9-5-4-8-13(14)15(19-20-16)17(22)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,22)(H,20,21)
InChIKeyXTPNOORIYIPQTO-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.90
Rot. Bonds4

About 4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide

4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide (PubChem CID 3164041) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide
PubChem CID3164041
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H15N3O2/c21-16-14-9-5-4-8-13(14)15(19-20-16)17(22)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,22)(H,20,21)
InChIKeyXTPNOORIYIPQTO-UHFFFAOYSA-N
XLogP1.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide (CID 3164041) is 4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide is O=C(NCCc1ccccc1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide?
The InChIKey is XTPNOORIYIPQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-16-14-9-5-4-8-13(14)15(19-20-16)17(22)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,22)(H,20,21).
What are the key properties of 4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide?
4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-phenylethyl)-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 3164041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).