2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide

C17H17BrN2O3 — CID 135560385

IUPAC2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H17BrN2O3/c1-2-16(12-3-7-14(21)8-4-12)19-20-17(22)11-23-15-9-5-13(18)6-10-15/h3-10,21H,2,11H2,1H3,(H,20,22)/b19-16+
InChIKeyDCLXOUHZVLQYFZ-KNTRCKAVSA-N
MW377.24 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide

2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide (PubChem CID 135560385) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
PubChem CID135560385
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H17BrN2O3/c1-2-16(12-3-7-14(21)8-4-12)19-20-17(22)11-23-15-9-5-13(18)6-10-15/h3-10,21H,2,11H2,1H3,(H,20,22)/b19-16+
InChIKeyDCLXOUHZVLQYFZ-KNTRCKAVSA-N
XLogP3.46
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]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

2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 135588966
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
CID 135560389
2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 6534157
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9059627
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide (CID 135560385) is 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide is CC/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccc(O)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide?
The InChIKey is DCLXOUHZVLQYFZ-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-2-16(12-3-7-14(21)8-4-12)19-20-17(22)11-23-15-9-5-13(18)6-10-15/h3-10,21H,2,11H2,1H3,(H,20,22)/b19-16+.
What are the key properties of 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide has a molecular weight of 377.24 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide is sourced from PubChem (CID 135560385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).