N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide

C16H12F2N4O — CID 53168687

IUPACN-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F2N4O/c17-12-7-6-11(8-13(12)18)19-15(23)9-14-20-16(22-21-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,23)(H,20,21,22)
InChIKeyPKNMAIUZMDGQAF-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.93
Rot. Bonds4

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

N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 53168687) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID53168687
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F2N4O/c17-12-7-6-11(8-13(12)18)19-15(23)9-14-20-16(22-21-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,23)(H,20,21,22)
InChIKeyPKNMAIUZMDGQAF-UHFFFAOYSA-N
XLogP2.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide (CID 53168687) is N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2ccccc2)n[nH]1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is PKNMAIUZMDGQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c17-12-7-6-11(8-13(12)18)19-15(23)9-14-20-16(22-21-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,23)(H,20,21,22).
What are the key properties of N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide?
N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 314.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 53168687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).