3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione

C25H21F3N4O2 — CID 58578476

IUPAC3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
SMILESCc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc(=O)n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C25H21F3N4O2/c1-17-10-12-19(13-11-17)15-31-22(29-21-9-5-8-20(14-21)25(26,27)28)30-23(33)32(24(31)34)16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,29,30,33)
InChIKeyOFFNQZLNMCBXSI-UHFFFAOYSA-N
MW466.46 g/mol
LogP4.57
Rot. Bonds6

About 3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione

3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione (PubChem CID 58578476) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is 3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
PubChem CID58578476
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC Name3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
SMILESCc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc(=O)n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C25H21F3N4O2/c1-17-10-12-19(13-11-17)15-31-22(29-21-9-5-8-20(14-21)25(26,27)28)30-23(33)32(24(31)34)16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,29,30,33)
InChIKeyOFFNQZLNMCBXSI-UHFFFAOYSA-N
XLogP4.57
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
CID 58578578
3-[(4-methoxyphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
CID 58578898
3-tert-butyl-6-[3-(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
CID 58578388
3-[(3-chloro-4-methylphenyl)methyl]-1-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoropropyl)anilino]-1,3,5-triazine-2,4-dione
CID 154470696
6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578847
2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41240407
3-cyclohexyl-6-[3-(1,1-difluoropropyl)anilino]-1-[[4-(dimethylamino)phenyl]methyl]-1,3,5-triazine-2,4-dione
CID 162544316
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
1-benzyl-3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110592786
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
1-[[4-[3-chloro-4-(2-methylpropyl)anilino]-3-[(4-methylphenyl)methyl]-2,6-dioxo-1,3,5-triazin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 130278261
4-[[3-[(4-chlorophenyl)methyl]-4-(3-fluoro-4-propan-2-yloxyanilino)-2,6-dioxo-1,3,5-triazin-1-yl]methyl]benzoic acid
CID 58578446

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione?
The IUPAC name of 3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione (CID 58578476) is 3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione is Cc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc(=O)n(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione?
The InChIKey is OFFNQZLNMCBXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c1-17-10-12-19(13-11-17)15-31-22(29-21-9-5-8-20(14-21)25(26,27)28)30-23(33)32(24(31)34)16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,29,30,33).
What are the key properties of 3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione?
3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione has a molecular weight of 466.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58578476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).