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

C17H15BrClNO2 — CID 1182153

IUPAC3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
SMILESCCOc1ccc(Br)cc1C=CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15BrClNO2/c1-2-22-16-9-8-13(18)11-12(16)7-10-17(21)20-15-6-4-3-5-14(15)19/h3-11H,2H2,1H3,(H,20,21)
InChIKeyPYLMCXXCCGNZBG-UHFFFAOYSA-N
MW380.67 g/mol
LogP5.15
Rot. Bonds5

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

3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide (PubChem CID 1182153) has the molecular formula C17H15BrClNO2 and a molecular weight of 380.67 g/mol. Its IUPAC name is 3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
PubChem CID1182153
Molecular FormulaC17H15BrClNO2
Molecular Weight380.67 g/mol
Exact Mass379.00
IUPAC Name3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
SMILESCCOc1ccc(Br)cc1C=CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15BrClNO2/c1-2-22-16-9-8-13(18)11-12(16)7-10-17(21)20-15-6-4-3-5-14(15)19/h3-11H,2H2,1H3,(H,20,21)
InChIKeyPYLMCXXCCGNZBG-UHFFFAOYSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.67
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)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

(E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide
CID 53267913
3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4099886
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 7935033
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
3-(5-bromo-2-ethoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 4096467
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
(E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide
CID 734157
methyl (E)-3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 102535216
(E)-N-(2-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9411298

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of 3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide (CID 1182153) is 3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide is CCOc1ccc(Br)cc1C=CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
The InChIKey is PYLMCXXCCGNZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO2/c1-2-22-16-9-8-13(18)11-12(16)7-10-17(21)20-15-6-4-3-5-14(15)19/h3-11H,2H2,1H3,(H,20,21).
What are the key properties of 3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide has a molecular weight of 380.67 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 1182153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).