[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate

C15H11Cl2NO4 — CID 5131929

IUPAC[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)C=Cc1ccco1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO4/c16-12-5-3-10(8-13(12)17)18-14(19)9-22-15(20)6-4-11-2-1-7-21-11/h1-8H,9H2,(H,18,19)
InChIKeyFFPDZIAORXUDJK-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.78
Rot. Bonds5

About [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate

[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate (PubChem CID 5131929) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
PubChem CID5131929
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)C=Cc1ccco1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO4/c16-12-5-3-10(8-13(12)17)18-14(19)9-22-15(20)6-4-11-2-1-7-21-11/h1-8H,9H2,(H,18,19)
InChIKeyFFPDZIAORXUDJK-UHFFFAOYSA-N
XLogP3.78
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)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

[2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852106
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 16595378
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010109
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
[2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] 3-(furan-2-yl)prop-2-enoate
CID 4655186
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2439255
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2567111
[2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate
CID 4604786
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2380128
[2-(3,5-dichloroanilino)-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 1191670
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5146395

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate (CID 5131929) is [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate is O=C(COC(=O)C=Cc1ccco1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The InChIKey is FFPDZIAORXUDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c16-12-5-3-10(8-13(12)17)18-14(19)9-22-15(20)6-4-11-2-1-7-21-11/h1-8H,9H2,(H,18,19).
What are the key properties of [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate has a molecular weight of 340.16 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 5131929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).