4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide

C22H18FN5O2 — CID 164618574

IUPAC4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(NCc2nc(-c3ccc(F)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H18FN5O2/c23-17-10-6-15(7-11-17)21-25-20(28(26-21)19-4-2-1-3-5-19)14-24-18-12-8-16(9-13-18)22(29)27-30/h1-13,24,30H,14H2,(H,27,29)
InChIKeyCCSUGPHYAHGTDO-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.80
Rot. Bonds6

About 4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide

4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide (PubChem CID 164618574) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
PubChem CID164618574
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(NCc2nc(-c3ccc(F)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H18FN5O2/c23-17-10-6-15(7-11-17)21-25-20(28(26-21)19-4-2-1-3-5-19)14-24-18-12-8-16(9-13-18)22(29)27-30/h1-13,24,30H,14H2,(H,27,29)
InChIKeyCCSUGPHYAHGTDO-UHFFFAOYSA-N
XLogP3.80
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.80
H-Bond Donors ≤ 53
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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Related Compounds

N-benzyl-1-(4-nitrobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 1295977
4-(3,5-dimethyl-1,2,4-triazol-4-yl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 16031691
N-(4-fluorobenzyl)-1-(4-nitrobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2212212
N-hydroxy-4-[[5-(3-methylthiophen-2-yl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164610874
4-[[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
CID 164614921
4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide
CID 164615547
4-[[2-(3-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
CID 164615770
4-[[5-(2-chlorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
CID 164616536
N-hydroxy-4-[[5-(3-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164616956
N-hydroxy-4-[[5-(5-methylthiophen-2-yl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164618637
N-hydroxy-4-[[2-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164619515
N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164620931

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide (CID 164618574) is 4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide is O=C(NO)c1ccc(NCc2nc(-c3ccc(F)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide?
The InChIKey is CCSUGPHYAHGTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-17-10-6-15(7-11-17)21-25-20(28(26-21)19-4-2-1-3-5-19)14-24-18-12-8-16(9-13-18)22(29)27-30/h1-13,24,30H,14H2,(H,27,29).
What are the key properties of 4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide?
4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide has a molecular weight of 403.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide is sourced from PubChem (CID 164618574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).