(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide

C17H15Cl2NO — CID 127030404

IUPAC(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NCCc1ccccc1
InChIInChI=1S/C17H15Cl2NO/c18-15-8-4-7-14(17(15)19)9-10-16(21)20-12-11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,21)/b10-9+
InChIKeyIGWKBUBWAFJKCA-MDZDMXLPSA-N
MW320.22 g/mol
LogP4.37
Rot. Bonds5

About (E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide

(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 127030404) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID127030404
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NCCc1ccccc1
InChIInChI=1S/C17H15Cl2NO/c18-15-8-4-7-14(17(15)19)9-10-16(21)20-12-11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,21)/b10-9+
InChIKeyIGWKBUBWAFJKCA-MDZDMXLPSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 127031291
(E)-3-(2,6-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 732568
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 74607566
4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-2-methylbutanoic acid
CID 80538396
(E)-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]but-2-enoic acid
CID 112746556
(E)-3-(2-chlorophenyl)-N-(2-pyrimidin-5-ylethyl)prop-2-enamide
CID 110208393
(E)-3-(2-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 1346266
(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6077577
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 5056399
2-cyano-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 78650220
(E)-3-(2-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 50874871

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide (CID 127030404) is (E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1Cl)NCCc1ccccc1.
What is the InChIKey of (E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is IGWKBUBWAFJKCA-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c18-15-8-4-7-14(17(15)19)9-10-16(21)20-12-11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,21)/b10-9+.
What are the key properties of (E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 320.22 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 127030404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).