N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide

C18H16F2N4O — CID 122133875

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cnc(-c2ccccc2)n1)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C18H16F2N4O/c19-15-8-13(9-16(20)10-15)6-7-21-17(25)11-24-12-22-18(23-24)14-4-2-1-3-5-14/h1-5,8-10,12H,6-7,11H2,(H,21,25)
InChIKeyAOJBWKGSQCFVHM-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide

N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 122133875) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
PubChem CID122133875
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cnc(-c2ccccc2)n1)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C18H16F2N4O/c19-15-8-13(9-16(20)10-15)6-7-21-17(25)11-24-12-22-18(23-24)14-4-2-1-3-5-14/h1-5,8-10,12H,6-7,11H2,(H,21,25)
InChIKeyAOJBWKGSQCFVHM-UHFFFAOYSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide (CID 122133875) is N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide is O=C(Cn1cnc(-c2ccccc2)n1)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is AOJBWKGSQCFVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-15-8-13(9-16(20)10-15)6-7-21-17(25)11-24-12-22-18(23-24)14-4-2-1-3-5-14/h1-5,8-10,12H,6-7,11H2,(H,21,25).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 342.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 122133875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).