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

C18H18BrNO3 — CID 4099886

IUPAC3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(Br)cc1C=CC(=O)Nc1ccccc1OC
InChIInChI=1S/C18H18BrNO3/c1-3-23-16-10-9-14(19)12-13(16)8-11-18(21)20-15-6-4-5-7-17(15)22-2/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyCCQNVQSWUXFFPO-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.51
Rot. Bonds6

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

3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 4099886) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID4099886
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(Br)cc1C=CC(=O)Nc1ccccc1OC
InChIInChI=1S/C18H18BrNO3/c1-3-23-16-10-9-14(19)12-13(16)8-11-18(21)20-15-6-4-5-7-17(15)22-2/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyCCQNVQSWUXFFPO-UHFFFAOYSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 7935033
3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 1182153
(E)-N-(4-bromo-2-chlorophenyl)-3-(5-bromo-2-ethoxyphenyl)prop-2-enamide
CID 53267913
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
3-(5-bromo-2-ethoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 4096467
3-(5-bromo-2-fluorophenyl)-N-(2-ethoxy-5-methoxyphenyl)prop-2-enamide
CID 72687951
(2-ethoxyphenyl) (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 19206569
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
(E)-3-(5-bromo-2-methoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555434
(E)-3-(5-bromo-2-ethoxyphenyl)-N-tert-butylprop-2-enamide
CID 734157
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide (CID 4099886) is 3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide is CCOc1ccc(Br)cc1C=CC(=O)Nc1ccccc1OC.
What is the InChIKey of 3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is CCQNVQSWUXFFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-3-23-16-10-9-14(19)12-13(16)8-11-18(21)20-15-6-4-5-7-17(15)22-2/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of 3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 376.25 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4099886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).