(E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide

C20H10Cl4N2O2 — CID 18863558

IUPAC(E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H10Cl4N2O2/c21-12-4-6-14(22)17(9-12)26-20(27)11(10-25)8-13-5-7-18(28-13)19-15(23)2-1-3-16(19)24/h1-9H,(H,26,27)/b11-8+
InChIKeyDHSRXWZSKOVGDC-DHZHZOJOSA-N
MW452.12 g/mol
LogP7.11
Rot. Bonds4

About (E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide

(E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 18863558) has the molecular formula C20H10Cl4N2O2 and a molecular weight of 452.12 g/mol. Its IUPAC name is (E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID18863558
Molecular FormulaC20H10Cl4N2O2
Molecular Weight452.12 g/mol
Exact Mass449.95
IUPAC Name(E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H10Cl4N2O2/c21-12-4-6-14(22)17(9-12)26-20(27)11(10-25)8-13-5-7-18(28-13)19-15(23)2-1-3-16(19)24/h1-9H,(H,26,27)/b11-8+
InChIKeyDHSRXWZSKOVGDC-DHZHZOJOSA-N
XLogP7.11
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.12
LogP ≤ 57.11
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-(2,6-dichlorophenyl)furan-2-yl]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 18863448
(E)-N-(2-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 18863503
(E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
CID 1070895
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
CID 18863852
2-cyano-3-[5-(2,6-dichlorophenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3444673
(E)-2-cyano-3-[5-(2,6-dichlorophenyl)furan-2-yl]-N-(3-methoxyphenyl)prop-2-enamide
CID 18863317
(Z)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
CID 124652231
(Z)-N-(4-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1124891
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 18863619
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 18863426
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863483
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 18863278

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide (CID 18863558) is (E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide is N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is DHSRXWZSKOVGDC-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H10Cl4N2O2/c21-12-4-6-14(22)17(9-12)26-20(27)11(10-25)8-13-5-7-18(28-13)19-15(23)2-1-3-16(19)24/h1-9H,(H,26,27)/b11-8+.
What are the key properties of (E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide?
(E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 452.12 g/mol, XLogP of 7.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2,5-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 18863558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).