2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide

C17H15BrCl2N2O2 — CID 19208334

IUPAC2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)N/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C17H15BrCl2N2O2/c1-2-11-8-12(18)6-7-16(11)24-10-17(23)22-21-9-13-14(19)4-3-5-15(13)20/h3-9H,2,10H2,1H3,(H,22,23)/b21-9+
InChIKeyVCESTQLMYQJBGQ-ZVBGSRNCSA-N
MW430.13 g/mol
LogP4.85
Rot. Bonds6

About 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide

2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide (PubChem CID 19208334) has the molecular formula C17H15BrCl2N2O2 and a molecular weight of 430.13 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
PubChem CID19208334
Molecular FormulaC17H15BrCl2N2O2
Molecular Weight430.13 g/mol
Exact Mass427.97
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)N/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C17H15BrCl2N2O2/c1-2-11-8-12(18)6-7-16(11)24-10-17(23)22-21-9-13-14(19)4-3-5-15(13)20/h3-9H,2,10H2,1H3,(H,22,23)/b21-9+
InChIKeyVCESTQLMYQJBGQ-ZVBGSRNCSA-N
XLogP4.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.13
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)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-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 1245916
2-(4-bromo-2-ethylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 19208371
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 19208342
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19208379
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19208361
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide
CID 19189673
2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208394
2-(4-bromo-2-chlorophenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4631727
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 19208380
2-(4-bromo-2-chlorophenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4631725
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 780706
N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4547272

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide (CID 19208334) is 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide is CCc1cc(Br)ccc1OCC(=O)N/N=C/c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is VCESTQLMYQJBGQ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O2/c1-2-11-8-12(18)6-7-16(11)24-10-17(23)22-21-9-13-14(19)4-3-5-15(13)20/h3-9H,2,10H2,1H3,(H,22,23)/b21-9+.
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide?
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 430.13 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 19208334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).