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

C18H14F3N3O2 — CID 1313875

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2c1=O
InChIInChI=1S/C18H14F3N3O2/c1-24-17(26)14-8-3-2-7-13(14)15(23-24)10-16(25)22-12-6-4-5-11(9-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChIKeyOVKRPPZPGHAZFR-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.13
Rot. Bonds3

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

2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1313875) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1313875
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2c1=O
InChIInChI=1S/C18H14F3N3O2/c1-24-17(26)14-8-3-2-7-13(14)15(23-24)10-16(25)22-12-6-4-5-11(9-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChIKeyOVKRPPZPGHAZFR-UHFFFAOYSA-N
XLogP3.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1313875) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is Cn1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OVKRPPZPGHAZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-24-17(26)14-8-3-2-7-13(14)15(23-24)10-16(25)22-12-6-4-5-11(9-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,25).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 361.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1313875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).