4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide

C24H22N6O3 — CID 162667089

IUPAC4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N6O3/c31-23(26-33)20-13-11-19(12-14-20)15-29(24(32)21-9-5-2-6-10-21)17-22-25-27-28-30(22)16-18-7-3-1-4-8-18/h1-14,33H,15-17H2,(H,26,31)
InChIKeyPLECCKPJQAXIMA-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.68
Rot. Bonds8

About 4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide

4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 162667089) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide
PubChem CID162667089
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N6O3/c31-23(26-33)20-13-11-19(12-14-20)15-29(24(32)21-9-5-2-6-10-21)17-22-25-27-28-30(22)16-18-7-3-1-4-8-18/h1-14,33H,15-17H2,(H,26,31)
InChIKeyPLECCKPJQAXIMA-UHFFFAOYSA-N
XLogP2.68
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.68
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 4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide (CID 162667089) is 4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN(Cc2nnnn2Cc2ccccc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is PLECCKPJQAXIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c31-23(26-33)20-13-11-19(12-14-20)15-29(24(32)21-9-5-2-6-10-21)17-22-25-27-28-30(22)16-18-7-3-1-4-8-18/h1-14,33H,15-17H2,(H,26,31).
What are the key properties of 4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide?
4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 442.48 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzoyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162667089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).