N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

C15H13N5O2 — CID 135357401

IUPACN-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H13N5O2/c21-15(18-22)13-8-6-11(7-9-13)10-20-17-14(16-19-20)12-4-2-1-3-5-12/h1-9,22H,10H2,(H,18,21)
InChIKeyGASSJWYDVSUMDF-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.51
Rot. Bonds4

About N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide (PubChem CID 135357401) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
PubChem CID135357401
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H13N5O2/c21-15(18-22)13-8-6-11(7-9-13)10-20-17-14(16-19-20)12-4-2-1-3-5-12/h1-9,22H,10H2,(H,18,21)
InChIKeyGASSJWYDVSUMDF-UHFFFAOYSA-N
XLogP1.51
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.51
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 N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide (CID 135357401) is N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The InChIKey is GASSJWYDVSUMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-15(18-22)13-8-6-11(7-9-13)10-20-17-14(16-19-20)12-4-2-1-3-5-12/h1-9,22H,10H2,(H,18,21).
What are the key properties of N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide has a molecular weight of 295.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 135357401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).