4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide

C23H19N3O2 — CID 78583454

IUPAC4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
SMILESCC(NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-16(17-10-4-2-5-11-17)24-22(27)21-19-14-8-9-15-20(19)23(28)26(25-21)18-12-6-3-7-13-18/h2-16H,1H3,(H,24,27)
InChIKeyMOAKUANLJCHGEA-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.88
Rot. Bonds4

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

4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide (PubChem CID 78583454) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
PubChem CID78583454
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
SMILESCC(NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H19N3O2/c1-16(17-10-4-2-5-11-17)24-22(27)21-19-14-8-9-15-20(19)23(28)26(25-21)18-12-6-3-7-13-18/h2-16H,1H3,(H,24,27)
InChIKeyMOAKUANLJCHGEA-UHFFFAOYSA-N
XLogP3.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9164757
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8936937
4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 7335407
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 18269661
3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
CID 7948827
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740
4-benzyl-3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159027

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide (CID 78583454) is 4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide is CC(NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of 4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide?
The InChIKey is MOAKUANLJCHGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16(17-10-4-2-5-11-17)24-22(27)21-19-14-8-9-15-20(19)23(28)26(25-21)18-12-6-3-7-13-18/h2-16H,1H3,(H,24,27).
What are the key properties of 4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide?
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 78583454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).