3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide

C11H12BrNO3 — CID 169482858

IUPAC3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide
SMILESCCOc1cc(C=CC(N)=O)cc(Br)c1O
InChIInChI=1S/C11H12BrNO3/c1-2-16-9-6-7(3-4-10(13)14)5-8(12)11(9)15/h3-6,15H,2H2,1H3,(H2,13,14)
InChIKeyKXRWWMHIKNDIAS-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.05
Rot. Bonds4

About 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide

3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide (PubChem CID 169482858) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide
PubChem CID169482858
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide
SMILESCCOc1cc(C=CC(N)=O)cc(Br)c1O
InChIInChI=1S/C11H12BrNO3/c1-2-16-9-6-7(3-4-10(13)14)5-8(12)11(9)15/h3-6,15H,2H2,1H3,(H2,13,14)
InChIKeyKXRWWMHIKNDIAS-UHFFFAOYSA-N
XLogP2.05
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)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)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 8014534
(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 60503533
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]urea
CID 135851177
ethyl 3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enoate
CID 86072917
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135433204
2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
CID 4155437
3-(3-ethoxy-5-fluorophenyl)prop-2-enamide
CID 169482023
(E)-3-(4-bromo-3,5-dimethoxyphenyl)prop-2-enamide
CID 170876558
methyl N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]carbamate
CID 135852617
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 735789
[2-(diethylamino)-2-oxoethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 8656025

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide (CID 169482858) is 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide is CCOc1cc(C=CC(N)=O)cc(Br)c1O.
What is the InChIKey of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is KXRWWMHIKNDIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-2-16-9-6-7(3-4-10(13)14)5-8(12)11(9)15/h3-6,15H,2H2,1H3,(H2,13,14).
What are the key properties of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide?
3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide has a molecular weight of 286.12 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 169482858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).