N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide

C16H14N4O2 — CID 171349230

IUPACN-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2cnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4O2/c21-16(19-22)14-8-6-12(7-9-14)10-20-11-17-15(18-20)13-4-2-1-3-5-13/h1-9,11,22H,10H2,(H,19,21)
InChIKeyHAQVOKDWPSCSLP-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.11
Rot. Bonds4

About N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide

N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide (PubChem CID 171349230) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide
PubChem CID171349230
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2cnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4O2/c21-16(19-22)14-8-6-12(7-9-14)10-20-11-17-15(18-20)13-4-2-1-3-5-13/h1-9,11,22H,10H2,(H,19,21)
InChIKeyHAQVOKDWPSCSLP-UHFFFAOYSA-N
XLogP2.11
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide (CID 171349230) is N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2cnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide?
The InChIKey is HAQVOKDWPSCSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(19-22)14-8-6-12(7-9-14)10-20-11-17-15(18-20)13-4-2-1-3-5-13/h1-9,11,22H,10H2,(H,19,21).
What are the key properties of N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide?
N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide is sourced from PubChem (CID 171349230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).