5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide

C13H15FN4O2 — CID 75377171

IUPAC5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCc1nc(CCCNC(=O)c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C13H15FN4O2/c1-8-16-12(18-17-8)3-2-6-15-13(20)10-7-9(14)4-5-11(10)19/h4-5,7,19H,2-3,6H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyLROXGNVFIHSXKB-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.32
Rot. Bonds5

About 5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide

5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide (PubChem CID 75377171) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide
PubChem CID75377171
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCc1nc(CCCNC(=O)c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C13H15FN4O2/c1-8-16-12(18-17-8)3-2-6-15-13(20)10-7-9(14)4-5-11(10)19/h4-5,7,19H,2-3,6H2,1H3,(H,15,20)(H,16,17,18)
InChIKeyLROXGNVFIHSXKB-UHFFFAOYSA-N
XLogP1.32
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide (CID 75377171) is 5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide is Cc1nc(CCCNC(=O)c2cc(F)ccc2O)n[nH]1.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide?
The InChIKey is LROXGNVFIHSXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-8-16-12(18-17-8)3-2-6-15-13(20)10-7-9(14)4-5-11(10)19/h4-5,7,19H,2-3,6H2,1H3,(H,15,20)(H,16,17,18).
What are the key properties of 5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide?
5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide has a molecular weight of 278.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]benzamide is sourced from PubChem (CID 75377171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).