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

C15H14FNO2 — CID 7700192

IUPAC(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO2/c16-13-5-3-12(4-6-13)9-10-17-15(18)8-7-14-2-1-11-19-14/h1-8,11H,9-10H2,(H,17,18)/b8-7+
InChIKeyXKCBSCHFAFTBMN-BQYQJAHWSA-N
MW259.28 g/mol
LogP2.79
Rot. Bonds5

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

(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 7700192) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID7700192
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO2/c16-13-5-3-12(4-6-13)9-10-17-15(18)8-7-14-2-1-11-19-14/h1-8,11H,9-10H2,(H,17,18)/b8-7+
InChIKeyXKCBSCHFAFTBMN-BQYQJAHWSA-N
XLogP2.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.79
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-(2-phenylethyl)prop-2-enamide
CID 790283
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852318
3-(furan-2-yl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide
CID 5209518
2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 56789002
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9080802
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CID 9392275
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide (CID 7700192) is (E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NCCc1ccc(F)cc1.
What is the InChIKey of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is XKCBSCHFAFTBMN-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-5-3-12(4-6-13)9-10-17-15(18)8-7-14-2-1-11-19-14/h1-8,11H,9-10H2,(H,17,18)/b8-7+.
What are the key properties of (E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 259.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 7700192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).