3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide

C24H20FN3O3 — CID 3282398

IUPAC3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(F)c3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H20FN3O3/c1-3-31-18-12-10-17(11-13-18)28-24(30)20-7-5-4-6-19(20)22(27-28)23(29)26-16-9-8-15(2)21(25)14-16/h4-14H,3H2,1-2H3,(H,26,29)
InChIKeyLCFPPVBMRYSHSA-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.48
Rot. Bonds5

About 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide

3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 3282398) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID3282398
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(F)c3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H20FN3O3/c1-3-31-18-12-10-17(11-13-18)28-24(30)20-7-5-4-6-19(20)22(27-28)23(29)26-16-9-8-15(2)21(25)14-16/h4-14H,3H2,1-2H3,(H,26,29)
InChIKeyLCFPPVBMRYSHSA-UHFFFAOYSA-N
XLogP4.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 20970771
3-(4-ethoxyphenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 3443199
3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 24652605
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 15992156
butyl-[2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl]-ethylazanium
CID 3497730
3-(4-ethoxyphenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 20970826
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4810818
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 5197386

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide (CID 3282398) is 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide is CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(F)c3)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is LCFPPVBMRYSHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-3-31-18-12-10-17(11-13-18)28-24(30)20-7-5-4-6-19(20)22(27-28)23(29)26-16-9-8-15(2)21(25)14-16/h4-14H,3H2,1-2H3,(H,26,29).
What are the key properties of 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide?
3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3282398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).