(Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide

C22H17FN2O3 — CID 126019855

IUPAC(Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
SMILESCCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)c1
InChIInChI=1S/C22H17FN2O3/c1-2-27-19-8-4-7-18(13-19)25-22(26)16(14-24)12-20-9-10-21(28-20)15-5-3-6-17(23)11-15/h3-13H,2H2,1H3,(H,25,26)/b16-12-
InChIKeyUCQBVJWOVMGRKU-VBKFSLOCSA-N
MW376.39 g/mol
LogP5.03
Rot. Bonds6

About (Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide

(Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 126019855) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
PubChem CID126019855
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name(Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
SMILESCCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)c1
InChIInChI=1S/C22H17FN2O3/c1-2-27-19-8-4-7-18(13-19)25-22(26)16(14-24)12-20-9-10-21(28-20)15-5-3-6-17(23)11-15/h3-13H,2H2,1H3,(H,25,26)/b16-12-
InChIKeyUCQBVJWOVMGRKU-VBKFSLOCSA-N
XLogP5.03
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-cyano-3-[5-(4-cyanophenyl)furan-2-yl]-N-(3-ethoxyphenyl)prop-2-enamide
CID 126029229
(E)-N-(3-chlorophenyl)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863522
(E)-2-cyano-N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863479
(Z)-2-cyano-N-(2-ethylphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 124652228
3-[5-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 7326875
(Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide
CID 126025634
(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)-N-(3-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1372972
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 18863272
(E)-2-cyano-3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-methoxyphenyl)prop-2-enamide
CID 18863310
2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)prop-2-enamide
CID 7025592

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide (CID 126019855) is (Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide is CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)c1.
What is the InChIKey of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is UCQBVJWOVMGRKU-VBKFSLOCSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-2-27-19-8-4-7-18(13-19)25-22(26)16(14-24)12-20-9-10-21(28-20)15-5-3-6-17(23)11-15/h3-13H,2H2,1H3,(H,25,26)/b16-12-.
What are the key properties of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide?
(Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 376.39 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 126019855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).