N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

C18H18BrNO2 — CID 1186028

IUPACN-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H18BrNO2/c1-3-22-15-8-5-14(6-9-15)7-11-18(21)20-17-10-4-13(2)12-16(17)19/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyLOMUCNCTUZTIFQ-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.81
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 1186028) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID1186028
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC NameN-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H18BrNO2/c1-3-22-15-8-5-14(6-9-15)7-11-18(21)20-17-10-4-13(2)12-16(17)19/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyLOMUCNCTUZTIFQ-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4-methylphenyl)-3-(4-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

N-(2-bromo-4-methylphenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 3590404
(E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 53268229
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
(E)-3-(4-ethoxyphenyl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108767339
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
(E)-3-(4-ethoxyphenyl)-N-[(3-methylphenyl)carbamothioyl]prop-2-enamide
CID 17227329
methyl 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-4-methylbenzoate
CID 8920139
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 26712863
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799471

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 1186028) is N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)Nc2ccc(C)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is LOMUCNCTUZTIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-3-22-15-8-5-14(6-9-15)7-11-18(21)20-17-10-4-13(2)12-16(17)19/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 360.25 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1186028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).