N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C24H20FN3O3 — CID 34607272

IUPACN-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H20FN3O3/c1-28-24(30)21-8-3-2-7-20(21)22(27-28)14-23(29)26-18-5-4-6-19(13-18)31-15-16-9-11-17(25)12-10-16/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyHMGNZHQRZHACIO-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.83
Rot. Bonds6

About N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 34607272) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID34607272
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H20FN3O3/c1-28-24(30)21-8-3-2-7-20(21)22(27-28)14-23(29)26-18-5-4-6-19(13-18)31-15-16-9-11-17(25)12-10-16/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyHMGNZHQRZHACIO-UHFFFAOYSA-N
XLogP3.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55982859
N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17122264
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 56531892
N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 56761805
5-bromo-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylpyrazole-4-carboxamide
CID 75455691
N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552342
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 166209428

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 34607272) is N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c2ccccc2c1=O.
What is the InChIKey of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is HMGNZHQRZHACIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-28-24(30)21-8-3-2-7-20(21)22(27-28)14-23(29)26-18-5-4-6-19(13-18)31-15-16-9-11-17(25)12-10-16/h2-13H,14-15H2,1H3,(H,26,29).
What are the key properties of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 417.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 34607272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).