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

C18H19FN2O3 — CID 2579466

IUPAC(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C18H19FN2O3/c1-2-21(18(23)10-9-16-4-3-11-24-16)13-17(22)20-12-14-5-7-15(19)8-6-14/h3-11H,2,12-13H2,1H3,(H,20,22)/b10-9+
InChIKeyAYHZVWUWVIQELT-MDZDMXLPSA-N
MW330.36 g/mol
LogP2.60
Rot. Bonds7

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

(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 2579466) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID2579466
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C18H19FN2O3/c1-2-21(18(23)10-9-16-4-3-11-24-16)13-17(22)20-12-14-5-7-15(19)8-6-14/h3-11H,2,12-13H2,1H3,(H,20,22)/b10-9+
InChIKeyAYHZVWUWVIQELT-MDZDMXLPSA-N
XLogP2.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
N-(2-Furylmethyl)benzamide
CID 236716
Furfurylamphetamine
CID 18116
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
3-(5-methyl-2-furyl)-N-(2-phenylethyl)acrylamide
CID 874587
N-[2-Furan-2-yl-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5765235
N-[2-Furan-2-yl-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide
CID 5765237
N-(2-Furanylmethyl)-4-methylbenzamide
CID 674887
(2E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
N-[2-Furan-2-yl-1-(4-methyl-piperidine-1-carbonyl)-vinyl]-benzamide
CID 5344059
2-fluoro-N-(2-furylmethyl)benzamide
CID 784948
N-[2-(5-methyl-2-furyl)-1-({[2-(4-morpholinyl)ethyl]amino}carbonyl)vinyl]benzamide
CID 5292081

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (CID 2579466) is (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is AYHZVWUWVIQELT-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-21(18(23)10-9-16-4-3-11-24-16)13-17(22)20-12-14-5-7-15(19)8-6-14/h3-11H,2,12-13H2,1H3,(H,20,22)/b10-9+.
What are the key properties of (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 330.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2579466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).