2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide

C17H18BrN3O2 — CID 110515152

IUPAC2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N\NC(=O)Cc2ccc(N)cc2)cc1Br
InChIInChI=1S/C17H18BrN3O2/c1-2-23-16-8-5-13(9-15(16)18)11-20-21-17(22)10-12-3-6-14(19)7-4-12/h3-9,11H,2,10,19H2,1H3,(H,21,22)/b20-11-
InChIKeyUXHFBUJYGCUJAL-JAIQZWGSSA-N
MW376.25 g/mol
LogP3.12
Rot. Bonds6

About 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide

2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 110515152) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide
PubChem CID110515152
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N\NC(=O)Cc2ccc(N)cc2)cc1Br
InChIInChI=1S/C17H18BrN3O2/c1-2-23-16-8-5-13(9-15(16)18)11-20-21-17(22)10-12-3-6-14(19)7-4-12/h3-9,11H,2,10,19H2,1H3,(H,21,22)/b20-11-
InChIKeyUXHFBUJYGCUJAL-JAIQZWGSSA-N
XLogP3.12
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]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-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide
CID 110515156
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061232
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368592
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126245549
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212
2-(4-tert-butylphenyl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137057622
2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135604458
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylacetamide
CID 3983717
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515319
2-(4-bromophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
CID 98050568
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 93066684

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide (CID 110515152) is 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccc(/C=N\NC(=O)Cc2ccc(N)cc2)cc1Br.
What is the InChIKey of 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is UXHFBUJYGCUJAL-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-2-23-16-8-5-13(9-15(16)18)11-20-21-17(22)10-12-3-6-14(19)7-4-12/h3-9,11H,2,10,19H2,1H3,(H,21,22)/b20-11-.
What are the key properties of 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide?
2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 376.25 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110515152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).