N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide

C23H16F3N3O — CID 11697155

IUPACN-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cnncc2c1
InChIInChI=1S/C23H16F3N3O/c1-14-5-8-20(29-22(30)16-3-2-4-19(10-16)23(24,25)26)11-21(14)15-6-7-17-12-27-28-13-18(17)9-15/h2-13H,1H3,(H,29,30)
InChIKeyHUEBBWXHQRJQBA-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.88
Rot. Bonds3

About N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide

N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 11697155) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide
PubChem CID11697155
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC NameN-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cnncc2c1
InChIInChI=1S/C23H16F3N3O/c1-14-5-8-20(29-22(30)16-3-2-4-19(10-16)23(24,25)26)11-21(14)15-6-7-17-12-27-28-13-18(17)9-15/h2-13H,1H3,(H,29,30)
InChIKeyHUEBBWXHQRJQBA-UHFFFAOYSA-N
XLogP5.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide 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 N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide (CID 11697155) is N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cnncc2c1.
What is the InChIKey of N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is HUEBBWXHQRJQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c1-14-5-8-20(29-22(30)16-3-2-4-19(10-16)23(24,25)26)11-21(14)15-6-7-17-12-27-28-13-18(17)9-15/h2-13H,1H3,(H,29,30).
What are the key properties of N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide?
N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 407.40 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11697155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).