2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide

C19H21BrN2O4 — CID 4981068

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2cccc(OC)c2OC)c(Br)c1
InChIInChI=1S/C19H21BrN2O4/c1-4-13-8-9-16(15(20)10-13)26-12-18(23)22-21-11-14-6-5-7-17(24-2)19(14)25-3/h5-11H,4,12H2,1-3H3,(H,22,23)
InChIKeyGXLDGLMMPIRWDH-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.56
Rot. Bonds8

About 2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 4981068) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID4981068
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2cccc(OC)c2OC)c(Br)c1
InChIInChI=1S/C19H21BrN2O4/c1-4-13-8-9-16(15(20)10-13)26-12-18(23)22-21-11-14-6-5-7-17(24-2)19(14)25-3/h5-11H,4,12H2,1-3H3,(H,22,23)
InChIKeyGXLDGLMMPIRWDH-UHFFFAOYSA-N
XLogP3.56
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 4628414
2-(2-bromo-4-methylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190660
2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4628201
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190663
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 4628191
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6231272
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135899617
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide
CID 19208224
2-(2-bromo-4-ethylphenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4628409
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 19182426

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide (CID 4981068) is 2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide is CCc1ccc(OCC(=O)NN=Cc2cccc(OC)c2OC)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is GXLDGLMMPIRWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-4-13-8-9-16(15(20)10-13)26-12-18(23)22-21-11-14-6-5-7-17(24-2)19(14)25-3/h5-11H,4,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 421.29 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4981068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).