(E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide

C14H16FNO2 — CID 868123

IUPAC(E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NC[C@@H]1CCCO1
InChIInChI=1S/C14H16FNO2/c15-12-6-3-11(4-7-12)5-8-14(17)16-10-13-2-1-9-18-13/h3-8,13H,1-2,9-10H2,(H,16,17)/b8-5+/t13-/m0/s1
InChIKeyRXJKBEUFCXFTBD-LJLILKBBSA-N
MW249.28 g/mol
LogP2.13
Rot. Bonds4

About (E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide (PubChem CID 868123) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
PubChem CID868123
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name(E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NC[C@@H]1CCCO1
InChIInChI=1S/C14H16FNO2/c15-12-6-3-11(4-7-12)5-8-14(17)16-10-13-2-1-9-18-13/h3-8,13H,1-2,9-10H2,(H,16,17)/b8-5+/t13-/m0/s1
InChIKeyRXJKBEUFCXFTBD-LJLILKBBSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.13
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

N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 531986
Benzamide, N-tetrahydrofurfuryl-3-fluoro-
CID 532005
[(2E)-3-Phenyl-2-propen-1-yl](tetrahydro-2-furanylmethyl)amine hydrochloride
CID 6458174
(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746777
2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3148058
N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 2947967
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6149760
(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746785
(2-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746787
N-Phenethyl-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 551498
2-Cyano-3-(4-isopropylphenyl)-N-(tetrahydro-2-furanylmethyl)acrylamide
CID 5760260
N-(oxolan-2-ylmethyl)benzamide
CID 2842558

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide (CID 868123) is (E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NC[C@@H]1CCCO1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide?
The InChIKey is RXJKBEUFCXFTBD-LJLILKBBSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-12-6-3-11(4-7-12)5-8-14(17)16-10-13-2-1-9-18-13/h3-8,13H,1-2,9-10H2,(H,16,17)/b8-5+/t13-/m0/s1.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide has a molecular weight of 249.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 868123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).