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

C20H11Cl2FN2O2 — CID 18863481

IUPAC(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H11Cl2FN2O2/c21-17-6-2-5-16(19(17)22)18-8-7-15(27-18)9-12(11-24)20(26)25-14-4-1-3-13(23)10-14/h1-10H,(H,25,26)/b12-9+
InChIKeyLRNOLBTYHDIATO-FMIVXFBMSA-N
MW401.22 g/mol
LogP5.94
Rot. Bonds4

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

(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide (PubChem CID 18863481) has the molecular formula C20H11Cl2FN2O2 and a molecular weight of 401.22 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
PubChem CID18863481
Molecular FormulaC20H11Cl2FN2O2
Molecular Weight401.22 g/mol
Exact Mass400.02
IUPAC Name(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H11Cl2FN2O2/c21-17-6-2-5-16(19(17)22)18-8-7-15(27-18)9-12(11-24)20(26)25-14-4-1-3-13(23)10-14/h1-10H,(H,25,26)/b12-9+
InChIKeyLRNOLBTYHDIATO-FMIVXFBMSA-N
XLogP5.94
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.22
LogP ≤ 55.94
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-(2,5-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863483
2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide
CID 3444299
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3-fluorophenyl)prop-2-enamide
CID 6092732
(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863485
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(4-ethylphenyl)prop-2-enamide
CID 6305159
(E)-2-cyano-N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863479
(E)-N-(3-chlorophenyl)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863522
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-prop-2-enylprop-2-enamide
CID 2713727
2-cyano-3-[5-(2,6-dichlorophenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3444673
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 18863893
(E)-2-cyano-N-cyclopentyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 126197604
(E)-N-(3-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1372972

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide (CID 18863481) is (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide is N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide?
The InChIKey is LRNOLBTYHDIATO-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H11Cl2FN2O2/c21-17-6-2-5-16(19(17)22)18-8-7-15(27-18)9-12(11-24)20(26)25-14-4-1-3-13(23)10-14/h1-10H,(H,25,26)/b12-9+.
What are the key properties of (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide?
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide has a molecular weight of 401.22 g/mol, XLogP of 5.94, 4 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-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 18863481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).