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

C23H18FN3O3 — CID 55982859

IUPACN-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccccc2Oc2cccc(F)c2)c2ccccc2c1=O
InChIInChI=1S/C23H18FN3O3/c1-27-23(29)18-10-3-2-9-17(18)20(26-27)14-22(28)25-19-11-4-5-12-21(19)30-16-8-6-7-15(24)13-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyYQMAQPWAVOUIGA-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.05
Rot. Bonds5

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

N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 55982859) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID55982859
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccccc2Oc2cccc(F)c2)c2ccccc2c1=O
InChIInChI=1S/C23H18FN3O3/c1-27-23(29)18-10-3-2-9-17(18)20(26-27)14-22(28)25-19-11-4-5-12-21(19)30-16-8-6-7-15(24)13-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyYQMAQPWAVOUIGA-UHFFFAOYSA-N
XLogP4.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenoxy)phenyl]acetamide
CID 52725356
N-(4-bromo-2-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 5077744
N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 166209428
2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide
CID 646119
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 16604825
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 70850909
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784
(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55375750
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 55982859) is N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccccc2Oc2cccc(F)c2)c2ccccc2c1=O.
What is the InChIKey of N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is YQMAQPWAVOUIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-27-23(29)18-10-3-2-9-17(18)20(26-27)14-22(28)25-19-11-4-5-12-21(19)30-16-8-6-7-15(24)13-16/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 403.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 55982859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).