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

C11H10F2N4O2 — CID 62400923

IUPACN-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CO)nn1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H10F2N4O2/c12-7-1-8(13)3-9(2-7)14-11(19)5-17-4-10(6-18)15-16-17/h1-4,18H,5-6H2,(H,14,19)
InChIKeyKIFSCPUYAUDZGF-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.69
Rot. Bonds4

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

N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (PubChem CID 62400923) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
PubChem CID62400923
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC NameN-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CO)nn1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H10F2N4O2/c12-7-1-8(13)3-9(2-7)14-11(19)5-17-4-10(6-18)15-16-17/h1-4,18H,5-6H2,(H,14,19)
InChIKeyKIFSCPUYAUDZGF-UHFFFAOYSA-N
XLogP0.69
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62399634
N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 82201930
N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399594
N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 55067228
2-[4-(aminomethyl)triazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107641680
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399987
N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401336
2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 113314224
2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 62054655
2-[4-(aminomethyl)triazol-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 115459155
N-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401150
2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 82210972

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (CID 62400923) is N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is O=C(Cn1cc(CO)nn1)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The InChIKey is KIFSCPUYAUDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c12-7-1-8(13)3-9(2-7)14-11(19)5-17-4-10(6-18)15-16-17/h1-4,18H,5-6H2,(H,14,19).
What are the key properties of N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide has a molecular weight of 268.22 g/mol, XLogP of 0.69, 4 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-(hydroxymethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62400923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).