2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide

C17H17BrN2O4 — CID 6877578

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/C(C)=C/c2ccco2)c(Br)c1
InChIInChI=1S/C17H17BrN2O4/c1-12(8-14-4-3-7-23-14)10-19-20-17(21)11-24-16-6-5-13(22-2)9-15(16)18/h3-10H,11H2,1-2H3,(H,20,21)/b12-8+,19-10+
InChIKeyKCBIYPQAGPBICE-BODUPIQHSA-N
MW393.24 g/mol
LogP3.63
Rot. Bonds7

About 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide

2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide (PubChem CID 6877578) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
PubChem CID6877578
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/C(C)=C/c2ccco2)c(Br)c1
InChIInChI=1S/C17H17BrN2O4/c1-12(8-14-4-3-7-23-14)10-19-20-17(21)11-24-16-6-5-13(22-2)9-15(16)18/h3-10H,11H2,1-2H3,(H,20,21)/b12-8+,19-10+
InChIKeyKCBIYPQAGPBICE-BODUPIQHSA-N
XLogP3.63
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide (CID 6877578) is 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide is COc1ccc(OCC(=O)N/N=C/C(C)=C/c2ccco2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide?
The InChIKey is KCBIYPQAGPBICE-BODUPIQHSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-12(8-14-4-3-7-23-14)10-19-20-17(21)11-24-16-6-5-13(22-2)9-15(16)18/h3-10H,11H2,1-2H3,(H,20,21)/b12-8+,19-10+.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide?
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide has a molecular weight of 393.24 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6877578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).