2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide

C17H15BrN2O2 — CID 129438781

IUPAC2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(COc1ccc(Br)cc1)NN=C/C=C/c1ccccc1
InChIInChI=1S/C17H15BrN2O2/c18-15-8-10-16(11-9-15)22-13-17(21)20-19-12-4-7-14-5-2-1-3-6-14/h1-12H,13H2,(H,20,21)/b7-4+,19-12?
InChIKeyILJBFZJOORVGSW-AZLCPECLSA-N
MW359.22 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 129438781) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID129438781
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(COc1ccc(Br)cc1)NN=C/C=C/c1ccccc1
InChIInChI=1S/C17H15BrN2O2/c18-15-8-10-16(11-9-15)22-13-17(21)20-19-12-4-7-14-5-2-1-3-6-14/h1-12H,13H2,(H,20,21)/b7-4+,19-12?
InChIKeyILJBFZJOORVGSW-AZLCPECLSA-N
XLogP3.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.64
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'}

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Related Compounds

N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
2-[(2-phenoxyacetyl)amino]-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 11979311
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254
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-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129437793
2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 7744227
2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6252134
N-(cinnamylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3883435
N-(but-2-enylideneamino)-2-phenoxyacetamide
CID 4285683
2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide
CID 6874055

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 129438781) is 2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide is O=C(COc1ccc(Br)cc1)NN=C/C=C/c1ccccc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is ILJBFZJOORVGSW-AZLCPECLSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-15-8-10-16(11-9-15)22-13-17(21)20-19-12-4-7-14-5-2-1-3-6-14/h1-12H,13H2,(H,20,21)/b7-4+,19-12?.
What are the key properties of 2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 359.22 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 129438781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).