(E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide

C13H15Cl2NO2 — CID 60740083

IUPAC(E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
SMILESCCN(CCO)C(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-2-16(7-8-17)13(18)6-4-10-3-5-11(14)9-12(10)15/h3-6,9,17H,2,7-8H2,1H3/b6-4+
InChIKeyGIKCNDCXMCYIBE-GQCTYLIASA-N
MW288.17 g/mol
LogP2.85
Rot. Bonds5

About (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 60740083) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID60740083
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
SMILESCCN(CCO)C(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-2-16(7-8-17)13(18)6-4-10-3-5-11(14)9-12(10)15/h3-6,9,17H,2,7-8H2,1H3/b6-4+
InChIKeyGIKCNDCXMCYIBE-GQCTYLIASA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)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

2-[carboxymethyl-[3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetic acid
CID 77003345
3-[[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61008614
1-(2,4-dichlorophenyl)pent-1-en-3-one
CID 142778018
(E)-3-(6-chloro-2H-chromen-3-yl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 110886570
ethyl 3-[3-(2,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76923092
(E)-1-[3-[bis(2-hydroxyethyl)amino]phenyl]-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 86578550
(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide
CID 2343564
(E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 115902440
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163694
propyl 3-(2,4-dichlorophenyl)prop-2-enoate
CID 78907714
(Z)-3-(3-chloro-4-fluorophenyl)-N,N-diethylprop-2-enamide
CID 97305606
(E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide
CID 166632761

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide (CID 60740083) is (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide is CCN(CCO)C(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is GIKCNDCXMCYIBE-GQCTYLIASA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-2-16(7-8-17)13(18)6-4-10-3-5-11(14)9-12(10)15/h3-6,9,17H,2,7-8H2,1H3/b6-4+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 288.17 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 60740083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).