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

C18H14F3N3O3 — CID 7578955

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCn1nc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2c1=O
InChIInChI=1S/C18H14F3N3O3/c1-24-17(26)14-5-3-2-4-13(14)15(23-24)10-16(25)22-11-6-8-12(9-7-11)27-18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChIKeyFVDAPOAJZBISNJ-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.01
Rot. Bonds4

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

2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 7578955) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID7578955
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCn1nc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2c1=O
InChIInChI=1S/C18H14F3N3O3/c1-24-17(26)14-5-3-2-4-13(14)15(23-24)10-16(25)22-11-6-8-12(9-7-11)27-18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChIKeyFVDAPOAJZBISNJ-UHFFFAOYSA-N
XLogP3.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 7578955) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is Cn1nc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FVDAPOAJZBISNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-24-17(26)14-5-3-2-4-13(14)15(23-24)10-16(25)22-11-6-8-12(9-7-11)27-18(19,20)21/h2-9H,10H2,1H3,(H,22,25).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 377.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 7578955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).