5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

C24H18F3N5O3 — CID 118710481

IUPAC5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)Nc1cccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)c1
InChIInChI=1S/C24H18F3N5O3/c1-14(33)28-17-6-2-4-15(10-17)21-13-32(31-30-21)19-8-9-22(34)20(12-19)23(35)29-18-7-3-5-16(11-18)24(25,26)27/h2-13,34H,1H3,(H,28,33)(H,29,35)
InChIKeyGGJCZPLBRALOLX-UHFFFAOYSA-N
MW481.43 g/mol
LogP4.87
Rot. Bonds5

About 5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118710481) has the molecular formula C24H18F3N5O3 and a molecular weight of 481.43 g/mol. Its IUPAC name is 5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118710481
Molecular FormulaC24H18F3N5O3
Molecular Weight481.43 g/mol
Exact Mass481.14
IUPAC Name5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)Nc1cccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)c1
InChIInChI=1S/C24H18F3N5O3/c1-14(33)28-17-6-2-4-15(10-17)21-13-32(31-30-21)19-8-9-22(34)20(12-19)23(35)29-18-7-3-5-16(11-18)24(25,26)27/h2-13,34H,1H3,(H,28,33)(H,29,35)
InChIKeyGGJCZPLBRALOLX-UHFFFAOYSA-N
XLogP4.87
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.43
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 118710481) is 5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is CC(=O)Nc1cccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)c1.
What is the InChIKey of 5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GGJCZPLBRALOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O3/c1-14(33)28-17-6-2-4-15(10-17)21-13-32(31-30-21)19-8-9-22(34)20(12-19)23(35)29-18-7-3-5-16(11-18)24(25,26)27/h2-13,34H,1H3,(H,28,33)(H,29,35).
What are the key properties of 5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 481.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118710481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).