(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide

C22H16Cl2N2O2 — CID 6305159

IUPAC(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C22H16Cl2N2O2/c1-2-14-6-8-16(9-7-14)26-22(27)15(13-25)12-17-10-11-20(28-17)18-4-3-5-19(23)21(18)24/h3-12H,2H2,1H3,(H,26,27)/b15-12+
InChIKeyAEFWWEQZNBFGFU-NTCAYCPXSA-N
MW411.29 g/mol
LogP6.36
Rot. Bonds5

About (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide

(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide (PubChem CID 6305159) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide
PubChem CID6305159
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC Name(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C22H16Cl2N2O2/c1-2-14-6-8-16(9-7-14)26-22(27)15(13-25)12-17-10-11-20(28-17)18-4-3-5-19(23)21(18)24/h3-12H,2H2,1H3,(H,26,27)/b15-12+
InChIKeyAEFWWEQZNBFGFU-NTCAYCPXSA-N
XLogP6.36
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863481
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-prop-2-enylprop-2-enamide
CID 2713727
2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide
CID 3444299
(E)-2-cyano-N-cyclopentyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 126197604
(E)-2-cyano-N-(4-ethylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 6103452
(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 1179037
2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
CID 2873316
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 18863705
2-methylpropyl 2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoate
CID 3730730
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863483
methyl 2-[5-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 2713030
(E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 18863386

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide (CID 6305159) is (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide is CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1.
What is the InChIKey of (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide?
The InChIKey is AEFWWEQZNBFGFU-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c1-2-14-6-8-16(9-7-14)26-22(27)15(13-25)12-17-10-11-20(28-17)18-4-3-5-19(23)21(18)24/h3-12H,2H2,1H3,(H,26,27)/b15-12+.
What are the key properties of (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide?
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide has a molecular weight of 411.29 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 6305159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).