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

C24H20F3N5O2 — CID 118710420

IUPAC5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)c1ccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)cc1
InChIInChI=1S/C24H20F3N5O2/c1-31(2)18-8-6-15(7-9-18)21-14-32(30-29-21)19-10-11-22(33)20(13-19)23(34)28-17-5-3-4-16(12-17)24(25,26)27/h3-14,33H,1-2H3,(H,28,34)
InChIKeyPFZPWFDLRZHXPJ-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.98
Rot. Bonds5

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

5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118710420) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118710420
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)c1ccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)cc1
InChIInChI=1S/C24H20F3N5O2/c1-31(2)18-8-6-15(7-9-18)21-14-32(30-29-21)19-10-11-22(33)20(13-19)23(34)28-17-5-3-4-16(12-17)24(25,26)27/h3-14,33H,1-2H3,(H,28,34)
InChIKeyPFZPWFDLRZHXPJ-UHFFFAOYSA-N
XLogP4.98
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-[[5-[4-(3,5-dimethoxyphenyl)triazol-1-yl]-2-hydroxybenzoyl]amino]benzoate
CID 101902488
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
3-(4-Acetamidophenyl)-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
CID 164585400
Methyl 3-[[2-hydroxy-5-[4-(3-nitrophenyl)triazol-1-yl]benzoyl]amino]benzoate
CID 127053398
Methyl 3-[[2-hydroxy-5-(4-quinoxalin-6-yltriazol-1-yl)benzoyl]amino]benzoate
CID 127053399
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 118710420) is 5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is CN(C)c1ccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)cc1.
What is the InChIKey of 5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is PFZPWFDLRZHXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-31(2)18-8-6-15(7-9-18)21-14-32(30-29-21)19-10-11-22(33)20(13-19)23(34)28-17-5-3-4-16(12-17)24(25,26)27/h3-14,33H,1-2H3,(H,28,34).
What are the key properties of 5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 467.45 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(dimethylamino)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118710420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).