2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

C24H19FN4O3 — CID 44722763

IUPAC2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H19FN4O3/c1-32-19-12-6-16(7-13-19)14-26-27-22(30)15-29-24(31)21-5-3-2-4-20(21)23(28-29)17-8-10-18(25)11-9-17/h2-14H,15H2,1H3,(H,27,30)/b26-14+
InChIKeyUSVXMOODCFRKSH-VULFUBBASA-N
MW430.44 g/mol
LogP3.36
Rot. Bonds6

About 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 44722763) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID44722763
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H19FN4O3/c1-32-19-12-6-16(7-13-19)14-26-27-22(30)15-29-24(31)21-5-3-2-4-20(21)23(28-29)17-8-10-18(25)11-9-17/h2-14H,15H2,1H3,(H,27,30)/b26-14+
InChIKeyUSVXMOODCFRKSH-VULFUBBASA-N
XLogP3.36
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(propan-2-ylideneamino)acetamide
CID 44724691
2-[4-(3,4-dimethylphenyl)-1-oxophthalazin-2-yl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 46192562
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide
CID 44723237
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 155755499
N-[(E)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 44722758
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 6218782
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 6209329
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 1309611
N-[(4-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (CID 44722763) is 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is USVXMOODCFRKSH-VULFUBBASA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-32-19-12-6-16(7-13-19)14-26-27-22(30)15-29-24(31)21-5-3-2-4-20(21)23(28-29)17-8-10-18(25)11-9-17/h2-14H,15H2,1H3,(H,27,30)/b26-14+.
What are the key properties of 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 430.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 44722763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).