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

C12H12F2N4O2 — CID 62399634

IUPACN-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)nn1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N4O2/c13-8-3-9(14)5-11(4-8)15-12(20)7-18-6-10(1-2-19)16-17-18/h3-6,19H,1-2,7H2,(H,15,20)
InChIKeyOFLGQHHOQMMLNQ-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.73
Rot. Bonds5

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

N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 62399634) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID62399634
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC NameN-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)nn1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N4O2/c13-8-3-9(14)5-11(4-8)15-12(20)7-18-6-10(1-2-19)16-17-18/h3-6,19H,1-2,7H2,(H,15,20)
InChIKeyOFLGQHHOQMMLNQ-UHFFFAOYSA-N
XLogP0.73
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62400923
N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401336
N-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401150
N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62401145
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62400417
N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 82201930
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 62401710
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435
2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(2-nitrophenyl)acetamide
CID 62399826
2-[4-(aminomethyl)triazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107641680
N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399594

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (CID 62399634) is N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is O=C(Cn1cc(CCO)nn1)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is OFLGQHHOQMMLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c13-8-3-9(14)5-11(4-8)15-12(20)7-18-6-10(1-2-19)16-17-18/h3-6,19H,1-2,7H2,(H,15,20).
What are the key properties of N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 282.25 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62399634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).