(E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide

C19H19Cl2NO — CID 11791985

IUPAC(E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)ccc1Cl)NCCCCc1ccccc1
InChIInChI=1S/C19H19Cl2NO/c20-17-10-11-18(21)16(14-17)9-12-19(23)22-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,22,23)/b12-9+
InChIKeyJQXFFCNMKLAXDC-FMIVXFBMSA-N
MW348.27 g/mol
LogP5.15
Rot. Bonds7

About (E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide

(E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide (PubChem CID 11791985) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is (E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
PubChem CID11791985
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC Name(E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)ccc1Cl)NCCCCc1ccccc1
InChIInChI=1S/C19H19Cl2NO/c20-17-10-11-18(21)16(14-17)9-12-19(23)22-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,22,23)/b12-9+
InChIKeyJQXFFCNMKLAXDC-FMIVXFBMSA-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-(2,5-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide (CID 11791985) is (E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide is O=C(/C=C/c1cc(Cl)ccc1Cl)NCCCCc1ccccc1.
What is the InChIKey of (E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide?
The InChIKey is JQXFFCNMKLAXDC-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c20-17-10-11-18(21)16(14-17)9-12-19(23)22-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,22,23)/b12-9+.
What are the key properties of (E)-3-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide?
(E)-3-(2,5-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-(2,5-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide is sourced from PubChem (CID 11791985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).