(E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide

C17H14Br2ClNO2 — CID 53267913

IUPAC(E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C17H14Br2ClNO2/c1-2-23-16-7-5-12(18)9-11(16)3-8-17(22)21-15-6-4-13(19)10-14(15)20/h3-10H,2H2,1H3,(H,21,22)/b8-3+
InChIKeyXQNNSAIQRAXOCV-FPYGCLRLSA-N
MW459.57 g/mol
LogP5.92
Rot. Bonds5

About (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide

(E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide (PubChem CID 53267913) has the molecular formula C17H14Br2ClNO2 and a molecular weight of 459.57 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide
PubChem CID53267913
Molecular FormulaC17H14Br2ClNO2
Molecular Weight459.57 g/mol
Exact Mass456.91
IUPAC Name(E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C17H14Br2ClNO2/c1-2-23-16-7-5-12(18)9-11(16)3-8-17(22)21-15-6-4-13(19)10-14(15)20/h3-10H,2H2,1H3,(H,21,22)/b8-3+
InChIKeyXQNNSAIQRAXOCV-FPYGCLRLSA-N
XLogP5.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide 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

3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 1182153
3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4099886
3-(5-bromo-2-ethoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 4096467
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 7935033
(E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide
CID 734157
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
(E)-3-(5-bromo-2-ethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 19185287
2-[[(E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 102534622
3-(5-bromo-2-fluorophenyl)-N-(2-ethoxy-5-methoxyphenyl)prop-2-enamide
CID 72687951
propan-2-yl 4-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]benzoate
CID 4670239
(E)-3-(5-bromo-2-ethoxyphenyl)-1-(4-bromophenyl)prop-2-en-1-one
CID 19541408
(E)-N-(4-bromo-2-chlorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26705873

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide (CID 53267913) is (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide is CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide?
The InChIKey is XQNNSAIQRAXOCV-FPYGCLRLSA-N. The full InChI is InChI=1S/C17H14Br2ClNO2/c1-2-23-16-7-5-12(18)9-11(16)3-8-17(22)21-15-6-4-13(19)10-14(15)20/h3-10H,2H2,1H3,(H,21,22)/b8-3+.
What are the key properties of (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide?
(E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide has a molecular weight of 459.57 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 53267913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).