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

C20H10Cl4N2O2 — CID 18863619

IUPAC(E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H10Cl4N2O2/c21-13-3-11(4-14(22)6-13)19-2-1-18(28-19)5-12(10-25)20(27)26-17-8-15(23)7-16(24)9-17/h1-9H,(H,26,27)/b12-5+
InChIKeyKKDJQMKGRIALAW-LFYBBSHMSA-N
MW452.12 g/mol
LogP7.11
Rot. Bonds4

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

(E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 18863619) has the molecular formula C20H10Cl4N2O2 and a molecular weight of 452.12 g/mol. Its IUPAC name is (E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID18863619
Molecular FormulaC20H10Cl4N2O2
Molecular Weight452.12 g/mol
Exact Mass449.95
IUPAC Name(E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H10Cl4N2O2/c21-13-3-11(4-14(22)6-13)19-2-1-18(28-19)5-12(10-25)20(27)26-17-8-15(23)7-16(24)9-17/h1-9H,(H,26,27)/b12-5+
InChIKeyKKDJQMKGRIALAW-LFYBBSHMSA-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

(Z)-N-(4-chlorophenyl)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 99892590
(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
CID 18863293
(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863485
(E)-N-(3-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1372972
(Z)-N-(4-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1124891
3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
CID 796826
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3,4-dichlorophenyl)prop-2-enamide
CID 18863626
(E)-N-(3-chlorophenyl)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863522
(E)-2-cyano-N-(3,4-dichlorophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 18863623
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3-fluorophenyl)prop-2-enamide
CID 6092732
(Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 6369988
(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 1179037

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide (CID 18863619) is (E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide is N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is KKDJQMKGRIALAW-LFYBBSHMSA-N. The full InChI is InChI=1S/C20H10Cl4N2O2/c21-13-3-11(4-14(22)6-13)19-2-1-18(28-19)5-12(10-25)20(27)26-17-8-15(23)7-16(24)9-17/h1-9H,(H,26,27)/b12-5+.
What are the key properties of (E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide?
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-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-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 18863619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).