(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide

C17H15FN2O3 — CID 39974147

IUPAC(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H15FN2O3/c1-22-9-8-20-17(21)13(11-19)10-15-6-7-16(23-15)12-2-4-14(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,21)/b13-10+
InChIKeyGYZCWGHMYHPOJB-JLHYYAGUSA-N
MW314.32 g/mol
LogP2.76
Rot. Bonds6

About (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide

(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 39974147) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide
PubChem CID39974147
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H15FN2O3/c1-22-9-8-20-17(21)13(11-19)10-15-6-7-16(23-15)12-2-4-14(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,21)/b13-10+
InChIKeyGYZCWGHMYHPOJB-JLHYYAGUSA-N
XLogP2.76
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
CID 5191792
(E)-2-cyano-N-(2-methoxyethyl)-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]prop-2-enamide
CID 122682727
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 18863272
2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3128896
(Z)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-ethylprop-2-enamide
CID 34314256
(E)-N-butyl-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 7515934
ethyl 4-[5-[(Z)-2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 6384605
4-[5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 2874734
(E)-2-cyano-N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863479
methyl 4-[5-[2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 782487
(E)-2-cyano-N-(3-methoxypropyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 24508726
(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 2094524

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide (CID 39974147) is (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide is COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is GYZCWGHMYHPOJB-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-22-9-8-20-17(21)13(11-19)10-15-6-7-16(23-15)12-2-4-14(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,21)/b13-10+.
What are the key properties of (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide?
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 314.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 39974147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).