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

C22H13F5N4O2 — CID 118710419

IUPAC5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3cc(F)cc(F)c3)nn2)ccc1O
InChIInChI=1S/C22H13F5N4O2/c23-14-6-12(7-15(24)9-14)19-11-31(30-29-19)17-4-5-20(32)18(10-17)21(33)28-16-3-1-2-13(8-16)22(25,26)27/h1-11,32H,(H,28,33)
InChIKeyZHXCAZQVUQGFTA-UHFFFAOYSA-N
MW460.36 g/mol
LogP5.19
Rot. Bonds4

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

5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118710419) has the molecular formula C22H13F5N4O2 and a molecular weight of 460.36 g/mol. Its IUPAC name is 5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118710419
Molecular FormulaC22H13F5N4O2
Molecular Weight460.36 g/mol
Exact Mass460.10
IUPAC Name5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3cc(F)cc(F)c3)nn2)ccc1O
InChIInChI=1S/C22H13F5N4O2/c23-14-6-12(7-15(24)9-14)19-11-31(30-29-19)17-4-5-20(32)18(10-17)21(33)28-16-3-1-2-13(8-16)22(25,26)27/h1-11,32H,(H,28,33)
InChIKeyZHXCAZQVUQGFTA-UHFFFAOYSA-N
XLogP5.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118710418
8-(4-Fluoro-phenylethynyl)-7-hydroxy-4-(3-[1,2,3]triazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 135544097
Methyl 3-[[2-hydroxy-5-[4-(3-nitrophenyl)triazol-1-yl]benzoyl]amino]benzoate
CID 127053398
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-yl-benzamide
CID 10319590
5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118710421
5-[4-(3-chlorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118710474
2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118710476
2-hydroxy-5-(4-thiophen-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118710480
5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118710481
Methyl 3-[1-[4-hydroxy-3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]benzoate
CID 118710482
2-hydroxy-5-[4-(2-methoxyphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 49798219
5-[4-(3,5-dimethoxyphenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 49798220

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 118710419) is 5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3cc(F)cc(F)c3)nn2)ccc1O.
What is the InChIKey of 5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZHXCAZQVUQGFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5N4O2/c23-14-6-12(7-15(24)9-14)19-11-31(30-29-19)17-4-5-20(32)18(10-17)21(33)28-16-3-1-2-13(8-16)22(25,26)27/h1-11,32H,(H,28,33).
What are the key properties of 5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 460.36 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-difluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118710419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).