(E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide

C18H18FNO2 — CID 51126174

IUPAC(E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H18FNO2/c19-15-7-5-14(6-8-15)18(11-1-2-12-18)20-17(21)10-9-16-4-3-13-22-16/h3-10,13H,1-2,11-12H2,(H,20,21)/b10-9+
InChIKeyAEAGZQRGTYNNRU-MDZDMXLPSA-N
MW299.35 g/mol
LogP4.02
Rot. Bonds4

About (E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 51126174) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID51126174
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H18FNO2/c19-15-7-5-14(6-8-15)18(11-1-2-12-18)20-17(21)10-9-16-4-3-13-22-16/h3-10,13H,1-2,11-12H2,(H,20,21)/b10-9+
InChIKeyAEAGZQRGTYNNRU-MDZDMXLPSA-N
XLogP4.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.02
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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Related Compounds

(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 51273013
3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945736
(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62517867
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
(E)-3-(furan-2-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)prop-2-enamide
CID 18155683
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 143504725
3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
CID 72692640
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
2-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thietan-3-yl]acetic acid
CID 166317743
(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2683689
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide (CID 51126174) is (E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of (E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is AEAGZQRGTYNNRU-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-15-7-5-14(6-8-15)18(11-1-2-12-18)20-17(21)10-9-16-4-3-13-22-16/h3-10,13H,1-2,11-12H2,(H,20,21)/b10-9+.
What are the key properties of (E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 299.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 51126174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).