ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate

C18H14Cl2N2O3 — CID 2798697

IUPACethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/Nc1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N2O3/c1-2-24-18(23)12(10-21)11-22-15-5-3-4-6-17(15)25-16-8-7-13(19)9-14(16)20/h3-9,11,22H,2H2,1H3/b12-11+
InChIKeyQCPKXQGLAQKEDY-VAWYXSNFSA-N
MW377.23 g/mol
LogP5.17
Rot. Bonds6

About ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate

ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate (PubChem CID 2798697) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate
PubChem CID2798697
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Nameethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/Nc1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N2O3/c1-2-24-18(23)12(10-21)11-22-15-5-3-4-6-17(15)25-16-8-7-13(19)9-14(16)20/h3-9,11,22H,2H2,1H3/b12-11+
InChIKeyQCPKXQGLAQKEDY-VAWYXSNFSA-N
XLogP5.17
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate 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

ethyl (E)-2-cyano-3-(2-propoxyanilino)prop-2-enoate
CID 8812471
ethyl (Z)-2-cyano-3-(2,3-dichloroanilino)prop-2-enoate
CID 41386519
ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenyl)hydrazinyl]prop-2-enoate
CID 8812159
ethyl (E)-3-[2-(benzylamino)-5-chloroanilino]-2-cyanoprop-2-enoate
CID 8811784
ethyl (E)-2-cyano-3-(2,4,5-trichloroanilino)prop-2-enoate
CID 17154962
(E)-2-cyano-N-[2-(2,4-dichlorophenoxy)phenyl]-3-(dimethylamino)prop-2-enamide
CID 2799879
ethyl (E)-3-[2-(2-chlorophenyl)hydrazinyl]-2-cyanoprop-2-enoate
CID 8811329
ethyl (E)-2-cyano-3-(3,5-dichloroanilino)prop-2-enoate
CID 8811229
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2-methoxyanilino)prop-2-enamide
CID 108827621
ethyl (E)-2-cyano-3-[2-(2,5-dichlorobenzoyl)hydrazinyl]prop-2-enoate
CID 8811997
ethyl 3-(2-benzoylanilino)-2-cyanoprop-2-enoate
CID 4652314
ethyl 3-[2-chloro-3-(methylcarbamoyl)anilino]-2-cyanoprop-2-enoate
CID 70628301

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate (CID 2798697) is ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate is CCOC(=O)/C(C#N)=C/Nc1ccccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate?
The InChIKey is QCPKXQGLAQKEDY-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-2-24-18(23)12(10-21)11-22-15-5-3-4-6-17(15)25-16-8-7-13(19)9-14(16)20/h3-9,11,22H,2H2,1H3/b12-11+.
What are the key properties of ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate?
ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate has a molecular weight of 377.23 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-cyano-3-[2-(2,4-dichlorophenoxy)anilino]prop-2-enoate is sourced from PubChem (CID 2798697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).