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

C13H15FN4O3 — CID 90649871

IUPAC4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide
SMILESCOCCn1cnnc1CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H15FN4O3/c1-21-5-4-18-8-16-17-12(18)7-15-13(20)10-3-2-9(14)6-11(10)19/h2-3,6,8,19H,4-5,7H2,1H3,(H,15,20)
InChIKeyGJBDDRYRBCBXPU-UHFFFAOYSA-N
MW294.29 g/mol
LogP0.70
Rot. Bonds6

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

4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide (PubChem CID 90649871) has the molecular formula C13H15FN4O3 and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide
PubChem CID90649871
Molecular FormulaC13H15FN4O3
Molecular Weight294.29 g/mol
Exact Mass294.11
IUPAC Name4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide
SMILESCOCCn1cnnc1CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H15FN4O3/c1-21-5-4-18-8-16-17-12(18)7-15-13(20)10-3-2-9(14)6-11(10)19/h2-3,6,8,19H,4-5,7H2,1H3,(H,15,20)
InChIKeyGJBDDRYRBCBXPU-UHFFFAOYSA-N
XLogP0.70
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113304577
2-amino-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 63110019
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131920489
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 107015165
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
4-fluoro-2-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 103829912
2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79777537
2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 118765487
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide (CID 90649871) is 4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide is COCCn1cnnc1CNC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide?
The InChIKey is GJBDDRYRBCBXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3/c1-21-5-4-18-8-16-17-12(18)7-15-13(20)10-3-2-9(14)6-11(10)19/h2-3,6,8,19H,4-5,7H2,1H3,(H,15,20).
What are the key properties of 4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide?
4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide has a molecular weight of 294.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide is sourced from PubChem (CID 90649871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).