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

C16H16N6O2 — CID 135357457

IUPAC4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide
SMILESNCc1ccc(-c2nnn(Cc3ccc(C(=O)NO)cc3)n2)cc1
InChIInChI=1S/C16H16N6O2/c17-9-11-1-5-13(6-2-11)15-18-21-22(19-15)10-12-3-7-14(8-4-12)16(23)20-24/h1-8,24H,9-10,17H2,(H,20,23)
InChIKeyFXFZODKSYUPWOG-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.97
Rot. Bonds5

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

4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide (PubChem CID 135357457) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide
PubChem CID135357457
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide
SMILESNCc1ccc(-c2nnn(Cc3ccc(C(=O)NO)cc3)n2)cc1
InChIInChI=1S/C16H16N6O2/c17-9-11-1-5-13(6-2-11)15-18-21-22(19-15)10-12-3-7-14(8-4-12)16(23)20-24/h1-8,24H,9-10,17H2,(H,20,23)
InChIKeyFXFZODKSYUPWOG-UHFFFAOYSA-N
XLogP0.97
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.97
H-Bond Donors ≤ 53
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-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide (CID 135357457) is 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide is NCc1ccc(-c2nnn(Cc3ccc(C(=O)NO)cc3)n2)cc1.
What is the InChIKey of 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide?
The InChIKey is FXFZODKSYUPWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c17-9-11-1-5-13(6-2-11)15-18-21-22(19-15)10-12-3-7-14(8-4-12)16(23)20-24/h1-8,24H,9-10,17H2,(H,20,23).
What are the key properties of 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide?
4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide has a molecular weight of 324.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135357457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).