2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C11H11FN4O2 — CID 104919903

IUPAC2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ncn[nH]1)c1c(O)cccc1F
InChIInChI=1S/C11H11FN4O2/c12-7-2-1-3-8(17)10(7)11(18)13-5-4-9-14-6-15-16-9/h1-3,6,17H,4-5H2,(H,13,18)(H,14,15,16)
InChIKeyPDNTYLZUUFGNDR-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.62
Rot. Bonds4

About 2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 104919903) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID104919903
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1ncn[nH]1)c1c(O)cccc1F
InChIInChI=1S/C11H11FN4O2/c12-7-2-1-3-8(17)10(7)11(18)13-5-4-9-14-6-15-16-9/h1-3,6,17H,4-5H2,(H,13,18)(H,14,15,16)
InChIKeyPDNTYLZUUFGNDR-UHFFFAOYSA-N
XLogP0.62
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
2-(2-chloro-6-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548180
2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398
4-bromo-3-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531614
3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149
5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113256537
2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420466
3-(2-chloro-6-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 77044373
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64546063
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 105386573
1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 127267118

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 104919903) is 2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is O=C(NCCc1ncn[nH]1)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is PDNTYLZUUFGNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-7-2-1-3-8(17)10(7)11(18)13-5-4-9-14-6-15-16-9/h1-3,6,17H,4-5H2,(H,13,18)(H,14,15,16).
What are the key properties of 2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 250.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 104919903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).