N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide

C18H15F3N4O2 — CID 56881747

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)13-8-6-12(7-9-13)16(26)10-22-17(27)15-11-25(24-23-15)14-4-2-1-3-5-14/h1-9,11,16,26H,10H2,(H,22,27)
InChIKeyANTXWGVDBYQCKK-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.75
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide (PubChem CID 56881747) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide
PubChem CID56881747
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)13-8-6-12(7-9-13)16(26)10-22-17(27)15-11-25(24-23-15)14-4-2-1-3-5-14/h1-9,11,16,26H,10H2,(H,22,27)
InChIKeyANTXWGVDBYQCKK-UHFFFAOYSA-N
XLogP2.75
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide (CID 56881747) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is ANTXWGVDBYQCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)13-8-6-12(7-9-13)16(26)10-22-17(27)15-11-25(24-23-15)14-4-2-1-3-5-14/h1-9,11,16,26H,10H2,(H,22,27).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 56881747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).