4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide

C18H13F3N4O2 — CID 136964684

IUPAC4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide
SMILESCc1ccc(C(N)=O)cc1-c1nc(-c2ccc(C(F)(F)F)cc2)nc(=O)[nH]1
InChIInChI=1S/C18H13F3N4O2/c1-9-2-3-11(14(22)26)8-13(9)16-23-15(24-17(27)25-16)10-4-6-12(7-5-10)18(19,20)21/h2-8H,1H3,(H2,22,26)(H,23,24,25,27)
InChIKeyNYXADYMGYIAQAM-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.93
Rot. Bonds3

About 4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide

4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide (PubChem CID 136964684) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide
PubChem CID136964684
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide
SMILESCc1ccc(C(N)=O)cc1-c1nc(-c2ccc(C(F)(F)F)cc2)nc(=O)[nH]1
InChIInChI=1S/C18H13F3N4O2/c1-9-2-3-11(14(22)26)8-13(9)16-23-15(24-17(27)25-16)10-4-6-12(7-5-10)18(19,20)21/h2-8H,1H3,(H2,22,26)(H,23,24,25,27)
InChIKeyNYXADYMGYIAQAM-UHFFFAOYSA-N
XLogP2.93
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide?
The IUPAC name of 4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide (CID 136964684) is 4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide.
What is the SMILES notation for 4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide?
The canonical SMILES for 4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide is Cc1ccc(C(N)=O)cc1-c1nc(-c2ccc(C(F)(F)F)cc2)nc(=O)[nH]1.
What is the InChIKey of 4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide?
The InChIKey is NYXADYMGYIAQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c1-9-2-3-11(14(22)26)8-13(9)16-23-15(24-17(27)25-16)10-4-6-12(7-5-10)18(19,20)21/h2-8H,1H3,(H2,22,26)(H,23,24,25,27).
What are the key properties of 4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide?
4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide has a molecular weight of 374.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]benzamide is sourced from PubChem (CID 136964684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).