2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide

C11H11FN4O2 — CID 104916778

IUPAC2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCn1cnnc1CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H11FN4O2/c1-16-6-14-15-9(16)5-13-11(18)10-7(12)3-2-4-8(10)17/h2-4,6,17H,5H2,1H3,(H,13,18)
InChIKeyJLARNNGVIWVSAH-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.59
Rot. Bonds3

About 2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide

2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 104916778) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID104916778
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCn1cnnc1CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H11FN4O2/c1-16-6-14-15-9(16)5-13-11(18)10-7(12)3-2-4-8(10)17/h2-4,6,17H,5H2,1H3,(H,13,18)
InChIKeyJLARNNGVIWVSAH-UHFFFAOYSA-N
XLogP0.59
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-6-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 115678631
2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79777537
2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 61140554
2-amino-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 63110019
4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-sulfanylbenzamide
CID 107027919
3-bromo-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103706759
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107015976
3-fluoro-2-(methylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63331174
2-amino-5-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 107074730
2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 62181122
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47158502
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 104916778) is 2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is Cn1cnnc1CNC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is JLARNNGVIWVSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-16-6-14-15-9(16)5-13-11(18)10-7(12)3-2-4-8(10)17/h2-4,6,17H,5H2,1H3,(H,13,18).
What are the key properties of 2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 250.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 104916778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).