(E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C19H20FNO2 — CID 46649514

IUPAC(E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)NCCc2cccc(F)c2)o1
InChIInChI=1S/C19H20FNO2/c1-13-11-17(13)18-7-5-16(23-18)6-8-19(22)21-10-9-14-3-2-4-15(20)12-14/h2-8,12-13,17H,9-11H2,1H3,(H,21,22)/b8-6+
InChIKeyBZEKHSZUEOJBKF-SOFGYWHQSA-N
MW313.37 g/mol
LogP3.91
Rot. Bonds6

About (E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 46649514) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID46649514
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)NCCc2cccc(F)c2)o1
InChIInChI=1S/C19H20FNO2/c1-13-11-17(13)18-7-5-16(23-18)6-8-19(22)21-10-9-14-3-2-4-15(20)12-14/h2-8,12-13,17H,9-11H2,1H3,(H,21,22)/b8-6+
InChIKeyBZEKHSZUEOJBKF-SOFGYWHQSA-N
XLogP3.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 46649514) is (E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC1CC1c1ccc(/C=C/C(=O)NCCc2cccc(F)c2)o1.
What is the InChIKey of (E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is BZEKHSZUEOJBKF-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13-11-17(13)18-7-5-16(23-18)6-8-19(22)21-10-9-14-3-2-4-15(20)12-14/h2-8,12-13,17H,9-11H2,1H3,(H,21,22)/b8-6+.
What are the key properties of (E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 313.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-fluorophenyl)ethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 46649514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).