(E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

C17H16BrNO2 — CID 90355915

IUPAC(E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NCCc1ccc(O)cc1
InChIInChI=1S/C17H16BrNO2/c18-15-6-1-13(2-7-15)5-10-17(21)19-12-11-14-3-8-16(20)9-4-14/h1-10,20H,11-12H2,(H,19,21)/b10-5+
InChIKeyPLOGRILTJXLNEX-BJMVGYQFSA-N
MW346.22 g/mol
LogP3.53
Rot. Bonds5

About (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

(E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide (PubChem CID 90355915) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
PubChem CID90355915
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NCCc1ccc(O)cc1
InChIInChI=1S/C17H16BrNO2/c18-15-6-1-13(2-7-15)5-10-17(21)19-12-11-14-3-8-16(20)9-4-14/h1-10,20H,11-12H2,(H,19,21)/b10-5+
InChIKeyPLOGRILTJXLNEX-BJMVGYQFSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]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

(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 124585125
3-[4-hydroxy-3-(hydroxymethyl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 76788614
4-[2-(4-bromophenyl)ethylamino]-4-oxobut-2-enoic acid
CID 71379311
(Z)-4-[2-(4-bromophenyl)ethylamino]-4-oxobut-2-enoic acid
CID 91975323
(E)-N-[2-(4-bromophenyl)ethyl]but-2-enamide
CID 110478022
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805220
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 5280537
3-(4-hydroxyphenyl)-N-[4-[3-[3-(4-hydroxyphenyl)prop-2-enoylamino]propylamino]butyl]prop-2-enamide
CID 73190496
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
(E)-N-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 63529144
(E)-3-(4-bromophenyl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115627994
(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
CID 6024199

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide (CID 90355915) is (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)NCCc1ccc(O)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide?
The InChIKey is PLOGRILTJXLNEX-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H16BrNO2/c18-15-6-1-13(2-7-15)5-10-17(21)19-12-11-14-3-8-16(20)9-4-14/h1-10,20H,11-12H2,(H,19,21)/b10-5+.
What are the key properties of (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide?
(E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide has a molecular weight of 346.22 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 90355915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).