N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide

C18H17FN4O2 — CID 141464679

IUPACN-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N(CC(O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2/c19-15-6-8-16(9-7-15)23(18(25)11-22-13-20-12-21-22)10-17(24)14-4-2-1-3-5-14/h1-9,12-13,17,24H,10-11H2
InChIKeyQTDLLZVMPCJNDN-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.18
Rot. Bonds6

About N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 141464679) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID141464679
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N(CC(O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2/c19-15-6-8-16(9-7-15)23(18(25)11-22-13-20-12-21-22)10-17(24)14-4-2-1-3-5-14/h1-9,12-13,17,24H,10-11H2
InChIKeyQTDLLZVMPCJNDN-UHFFFAOYSA-N
XLogP2.18
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 141464679) is N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N(CC(O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is QTDLLZVMPCJNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-15-6-8-16(9-7-15)23(18(25)11-22-13-20-12-21-22)10-17(24)14-4-2-1-3-5-14/h1-9,12-13,17,24H,10-11H2.
What are the key properties of N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 141464679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).