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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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).