2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide

C19H19BrN2O4 — CID 6874055

IUPAC2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide
SMILESCOc1ccc(/C=C/C=N/NC(=O)COc2ccc(Br)cc2OC)cc1
InChIInChI=1S/C19H19BrN2O4/c1-24-16-8-5-14(6-9-16)4-3-11-21-22-19(23)13-26-17-10-7-15(20)12-18(17)25-2/h3-12H,13H2,1-2H3,(H,22,23)/b4-3+,21-11+
InChIKeyOLWOUHJPJBBOCC-QJRDPUHFSA-N
MW419.28 g/mol
LogP3.66
Rot. Bonds8

About 2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide

2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide (PubChem CID 6874055) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide
PubChem CID6874055
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide
SMILESCOc1ccc(/C=C/C=N/NC(=O)COc2ccc(Br)cc2OC)cc1
InChIInChI=1S/C19H19BrN2O4/c1-24-16-8-5-14(6-9-16)4-3-11-21-22-19(23)13-26-17-10-7-15(20)12-18(17)25-2/h3-12H,13H2,1-2H3,(H,22,23)/b4-3+,21-11+
InChIKeyOLWOUHJPJBBOCC-QJRDPUHFSA-N
XLogP3.66
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.66
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-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6040296
2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208394
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208016
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781
2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 19189754
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748227
2-(4-bromo-2-methoxyphenoxy)-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 1246272
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
[4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
CID 3661355
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19208361
[4-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6031801
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide (CID 6874055) is 2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide is COc1ccc(/C=C/C=N/NC(=O)COc2ccc(Br)cc2OC)cc1.
What is the InChIKey of 2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide?
The InChIKey is OLWOUHJPJBBOCC-QJRDPUHFSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-24-16-8-5-14(6-9-16)4-3-11-21-22-19(23)13-26-17-10-7-15(20)12-18(17)25-2/h3-12H,13H2,1-2H3,(H,22,23)/b4-3+,21-11+.
What are the key properties of 2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide?
2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide has a molecular weight of 419.28 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6874055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).