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

C24H18N4O2 — CID 71453773

IUPACN-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2cccc(-c3ccc(C#N)cc3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H18N4O2/c1-28-24(30)21-8-3-2-7-20(21)22(27-28)14-23(29)26-19-6-4-5-18(13-19)17-11-9-16(15-25)10-12-17/h2-13H,14H2,1H3,(H,26,29)
InChIKeyRCFLRIYJAGOBBI-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.65
Rot. Bonds4

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

N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 71453773) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID71453773
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2cccc(-c3ccc(C#N)cc3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H18N4O2/c1-28-24(30)21-8-3-2-7-20(21)22(27-28)14-23(29)26-19-6-4-5-18(13-19)17-11-9-16(15-25)10-12-17/h2-13H,14H2,1H3,(H,26,29)
InChIKeyRCFLRIYJAGOBBI-UHFFFAOYSA-N
XLogP3.65
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-arylphthalazin-1(2H)-3,4-Di-F
CID 56835134
3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 970816
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
4-({3-[(4-Phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133279
2-[4-[2,3-difluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]benzonitrile
CID 145955534
3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(2-methyl-1-oxophthalazin-6-yl)phenyl]benzamide
CID 162658234
3-benzyl-N-methyl-4-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]phthalazine-1-carboxamide
CID 4784122
2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-o-tolyl-acetamide
CID 745849
N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1292350
N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 1306519
N-(4-fluorophenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1999173
N-[4-(diethylcarbamoyl)phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 2000148

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 71453773) is N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2cccc(-c3ccc(C#N)cc3)c2)c2ccccc2c1=O.
What is the InChIKey of N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is RCFLRIYJAGOBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-28-24(30)21-8-3-2-7-20(21)22(27-28)14-23(29)26-19-6-4-5-18(13-19)17-11-9-16(15-25)10-12-17/h2-13H,14H2,1H3,(H,26,29).
What are the key properties of N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 394.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanophenyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 71453773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).