N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide

C11H10F2N4O — CID 3836485

IUPACN-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCc1cc(F)ccc1F
InChIInChI=1S/C11H10F2N4O/c12-9-1-2-10(13)8(3-9)4-15-11(18)5-17-7-14-6-16-17/h1-3,6-7H,4-5H2,(H,15,18)
InChIKeyYYBHHWHKJLLPPJ-UHFFFAOYSA-N
MW252.22 g/mol
LogP0.87
Rot. Bonds4

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

N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 3836485) has the molecular formula C11H10F2N4O and a molecular weight of 252.22 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID3836485
Molecular FormulaC11H10F2N4O
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCc1cc(F)ccc1F
InChIInChI=1S/C11H10F2N4O/c12-9-1-2-10(13)8(3-9)4-15-11(18)5-17-7-14-6-16-17/h1-3,6-7H,4-5H2,(H,15,18)
InChIKeyYYBHHWHKJLLPPJ-UHFFFAOYSA-N
XLogP0.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 3836485) is N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is YYBHHWHKJLLPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O/c12-9-1-2-10(13)8(3-9)4-15-11(18)5-17-7-14-6-16-17/h1-3,6-7H,4-5H2,(H,15,18).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 252.22 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 3836485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).