N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide

C11H10F2N4O2 — CID 62399594

IUPACN-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CO)nn1)Nc1c(F)cccc1F
InChIInChI=1S/C11H10F2N4O2/c12-8-2-1-3-9(13)11(8)14-10(19)5-17-4-7(6-18)15-16-17/h1-4,18H,5-6H2,(H,14,19)
InChIKeyKJBJLFAQRCPDOQ-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.69
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide

N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (PubChem CID 62399594) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
PubChem CID62399594
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC NameN-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CO)nn1)Nc1c(F)cccc1F
InChIInChI=1S/C11H10F2N4O2/c12-8-2-1-3-9(13)11(8)14-10(19)5-17-4-7(6-18)15-16-17/h1-4,18H,5-6H2,(H,14,19)
InChIKeyKJBJLFAQRCPDOQ-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-(hydroxymethyl)triazol-1-yl]acetamide
CID 62400923
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-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 82201930
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 106221500
N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 55067228
2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide
CID 62400556
2-[4-(aminomethyl)triazol-1-yl]-1-(2,6-difluorophenyl)ethanone
CID 116599735
N-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401150
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-bromobenzoic acid
CID 115459835
N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62399634

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (CID 62399594) is N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is O=C(Cn1cc(CO)nn1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The InChIKey is KJBJLFAQRCPDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c12-8-2-1-3-9(13)11(8)14-10(19)5-17-4-7(6-18)15-16-17/h1-4,18H,5-6H2,(H,14,19).
What are the key properties of N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
N-(2,6-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-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62399594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).