3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide

C14H10F2N6O2 — CID 135357406

IUPAC3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(-c3ccccn3)n2)c(F)c1
InChIInChI=1S/C14H10F2N6O2/c15-10-5-8(14(23)20-24)6-11(16)9(10)7-22-19-13(18-21-22)12-3-1-2-4-17-12/h1-6,24H,7H2,(H,20,23)
InChIKeyVDJRUEPOHNBXBZ-UHFFFAOYSA-N
MW332.27 g/mol
LogP1.18
Rot. Bonds4

About 3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide

3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide (PubChem CID 135357406) has the molecular formula C14H10F2N6O2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide
PubChem CID135357406
Molecular FormulaC14H10F2N6O2
Molecular Weight332.27 g/mol
Exact Mass332.08
IUPAC Name3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cn2nnc(-c3ccccn3)n2)c(F)c1
InChIInChI=1S/C14H10F2N6O2/c15-10-5-8(14(23)20-24)6-11(16)9(10)7-22-19-13(18-21-22)12-3-1-2-4-17-12/h1-6,24H,7H2,(H,20,23)
InChIKeyVDJRUEPOHNBXBZ-UHFFFAOYSA-N
XLogP1.18
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide (CID 135357406) is 3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide is O=C(NO)c1cc(F)c(Cn2nnc(-c3ccccn3)n2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide?
The InChIKey is VDJRUEPOHNBXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N6O2/c15-10-5-8(14(23)20-24)6-11(16)9(10)7-22-19-13(18-21-22)12-3-1-2-4-17-12/h1-6,24H,7H2,(H,20,23).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide has a molecular weight of 332.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 135357406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).