(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide

C19H19Cl2NO — CID 6077577

IUPAC(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)NCCCCc1ccccc1
InChIInChI=1S/C19H19Cl2NO/c20-17-10-6-11-18(21)16(17)12-13-19(23)22-14-5-4-9-15-7-2-1-3-8-15/h1-3,6-8,10-13H,4-5,9,14H2,(H,22,23)/b13-12+
InChIKeyJDBOEJZZTJWHQM-OUKQBFOZSA-N
MW348.27 g/mol
LogP5.15
Rot. Bonds7

About (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide (PubChem CID 6077577) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
PubChem CID6077577
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)NCCCCc1ccccc1
InChIInChI=1S/C19H19Cl2NO/c20-17-10-6-11-18(21)16(17)12-13-19(23)22-14-5-4-9-15-7-2-1-3-8-15/h1-3,6-8,10-13H,4-5,9,14H2,(H,22,23)/b13-12+
InChIKeyJDBOEJZZTJWHQM-OUKQBFOZSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)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-(2,6-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 732568
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 127031291
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43388952
3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
CID 2930612
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 127030404
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
(E)-3-(2,6-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861642
(E)-3-(2-chloro-6-fluorophenyl)-N-(6-hydroxyhexyl)prop-2-enamide
CID 103919047
(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
CID 898247
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide (CID 6077577) is (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide is O=C(/C=C/c1c(Cl)cccc1Cl)NCCCCc1ccccc1.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide?
The InChIKey is JDBOEJZZTJWHQM-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c20-17-10-6-11-18(21)16(17)12-13-19(23)22-14-5-4-9-15-7-2-1-3-8-15/h1-3,6-8,10-13H,4-5,9,14H2,(H,22,23)/b13-12+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide has a molecular weight of 348.27 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide is sourced from PubChem (CID 6077577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).