N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide

C17H14BrN5O3 — CID 135804235

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
SMILESO=C(COc1ncn(-c2ccccc2)n1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C17H14BrN5O3/c18-13-6-7-15(24)12(8-13)9-20-21-16(25)10-26-17-19-11-23(22-17)14-4-2-1-3-5-14/h1-9,11,24H,10H2,(H,21,25)/b20-9+
InChIKeyUBPJAJFUQCCLFW-AWQFTUOYSA-N
MW416.24 g/mol
LogP2.26
Rot. Bonds6

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide (PubChem CID 135804235) has the molecular formula C17H14BrN5O3 and a molecular weight of 416.24 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
PubChem CID135804235
Molecular FormulaC17H14BrN5O3
Molecular Weight416.24 g/mol
Exact Mass415.03
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
SMILESO=C(COc1ncn(-c2ccccc2)n1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C17H14BrN5O3/c18-13-6-7-15(24)12(8-13)9-20-21-16(25)10-26-17-19-11-23(22-17)14-4-2-1-3-5-14/h1-9,11,24H,10H2,(H,21,25)/b20-9+
InChIKeyUBPJAJFUQCCLFW-AWQFTUOYSA-N
XLogP2.26
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 135804158
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-hydroxyphenoxy)acetamide
CID 136732387
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 135804213
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135683134
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 136688600
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 3423079
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 135604322
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3350497
[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700893
2-(benzotriazol-1-yl)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 136697516
dibenzyl-[2-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]azanium
CID 3680754

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide (CID 135804235) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide is O=C(COc1ncn(-c2ccccc2)n1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The InChIKey is UBPJAJFUQCCLFW-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H14BrN5O3/c18-13-6-7-15(24)12(8-13)9-20-21-16(25)10-26-17-19-11-23(22-17)14-4-2-1-3-5-14/h1-9,11,24H,10H2,(H,21,25)/b20-9+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide has a molecular weight of 416.24 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide is sourced from PubChem (CID 135804235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).