4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide

C15H12FN5O2 — CID 135357648

IUPAC4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C15H12FN5O2/c16-13-4-2-1-3-12(13)14-17-20-21(18-14)9-10-5-7-11(8-6-10)15(22)19-23/h1-8,23H,9H2,(H,19,22)
InChIKeyGMZWCDSFCCBBAI-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.65
Rot. Bonds4

About 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide

4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide (PubChem CID 135357648) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
PubChem CID135357648
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC Name4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C15H12FN5O2/c16-13-4-2-1-3-12(13)14-17-20-21(18-14)9-10-5-7-11(8-6-10)15(22)19-23/h1-8,23H,9H2,(H,19,22)
InChIKeyGMZWCDSFCCBBAI-UHFFFAOYSA-N
XLogP1.65
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide (CID 135357648) is 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(Cn2nnc(-c3ccccc3F)n2)cc1.
What is the InChIKey of 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide?
The InChIKey is GMZWCDSFCCBBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c16-13-4-2-1-3-12(13)14-17-20-21(18-14)9-10-5-7-11(8-6-10)15(22)19-23/h1-8,23H,9H2,(H,19,22).
What are the key properties of 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide?
4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide has a molecular weight of 313.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135357648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).