4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide

C23H16F3N3O — CID 11654390

IUPAC4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2cnncc2c1
InChIInChI=1S/C23H16F3N3O/c1-14-5-6-16(22(30)29-20-4-2-3-19(11-20)23(24,25)26)10-21(14)15-7-8-17-12-27-28-13-18(17)9-15/h2-13H,1H3,(H,29,30)
InChIKeyQJKQUQSBZCHWKL-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.88
Rot. Bonds3

About 4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 11654390) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID11654390
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2cnncc2c1
InChIInChI=1S/C23H16F3N3O/c1-14-5-6-16(22(30)29-20-4-2-3-19(11-20)23(24,25)26)10-21(14)15-7-8-17-12-27-28-13-18(17)9-15/h2-13H,1H3,(H,29,30)
InChIKeyQJKQUQSBZCHWKL-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

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Related Compounds

N-cyclopropyl-4-methyl-3-(1-(2-methylphenyl)phthalazin-6-yl)benzamide
CID 24941253
N-cyclopropyl-3-(1-(2-fluorophenyl)phthalazin-6-yl)-4-methylbenzamide
CID 11848506
N-Cyclopropyl-4-methyl-3-(1-phenyl-6-phthalazinyl)benzamide
CID 11848567
3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 155519342
3-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]cinnoline-4-carboxamide
CID 16024986
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide
CID 16746134
N-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)cinnoline-4-carboxamide 2,2,2-trifluoroacetate
CID 46902921
3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide
CID 118722843
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]cinnoline-4-carboxamide
CID 164609869
N-[3-(1H-indazol-6-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide
CID 155537171
(4-Methylphenyl)-(4-phthalazin-6-ylpiperazin-1-yl)methanone
CID 172448024
4-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]-3-(3-pyridin-3-ylanilino)benzamide
CID 172457184

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 11654390) is 4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2cnncc2c1.
What is the InChIKey of 4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QJKQUQSBZCHWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c1-14-5-6-16(22(30)29-20-4-2-3-19(11-20)23(24,25)26)10-21(14)15-7-8-17-12-27-28-13-18(17)9-15/h2-13H,1H3,(H,29,30).
What are the key properties of 4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]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 4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11654390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).