N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide

C23H19N3O2 — CID 9104456

IUPACN-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1ccccc1CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H19N3O2/c1-16-9-5-6-10-17(16)15-24-22(27)21-19-13-7-8-14-20(19)23(28)26(25-21)18-11-3-2-4-12-18/h2-14H,15H2,1H3,(H,24,27)
InChIKeyQPUZQUQTMLQCKW-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.62
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 9104456) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID9104456
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCc1ccccc1CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H19N3O2/c1-16-9-5-6-10-17(16)15-24-22(27)21-19-13-7-8-14-20(19)23(28)26(25-21)18-11-3-2-4-12-18/h2-14H,15H2,1H3,(H,24,27)
InChIKeyQPUZQUQTMLQCKW-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55724601
4-oxo-N-pentyl-3-phenylphthalazine-1-carboxamide
CID 7779349
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39248651
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 2483637
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 9104456) is N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide is Cc1ccccc1CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is QPUZQUQTMLQCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16-9-5-6-10-17(16)15-24-22(27)21-19-13-7-8-14-20(19)23(28)26(25-21)18-11-3-2-4-12-18/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 9104456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).