(E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

C15H18Cl2N2O2 — CID 759747

IUPAC(E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCN1CCOCC1
InChIInChI=1S/C15H18Cl2N2O2/c16-13-3-1-12(14(17)11-13)2-4-15(20)18-5-6-19-7-9-21-10-8-19/h1-4,11H,5-10H2,(H,18,20)/b4-2+
InChIKeyVZSYDVIOACLRSO-DUXPYHPUSA-N
MW329.23 g/mol
LogP2.45
Rot. Bonds5

About (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 759747) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID759747
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCN1CCOCC1
InChIInChI=1S/C15H18Cl2N2O2/c16-13-3-1-12(14(17)11-13)2-4-15(20)18-5-6-19-7-9-21-10-8-19/h1-4,11H,5-10H2,(H,18,20)/b4-2+
InChIKeyVZSYDVIOACLRSO-DUXPYHPUSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 759747) is (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NCCN1CCOCC1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is VZSYDVIOACLRSO-DUXPYHPUSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-13-3-1-12(14(17)11-13)2-4-15(20)18-5-6-19-7-9-21-10-8-19/h1-4,11H,5-10H2,(H,18,20)/b4-2+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 329.23 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 759747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).