(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide

C16H16FNO3 — CID 9482231

IUPAC(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccco2)cc1F
InChIInChI=1S/C16H16FNO3/c1-11(14-4-3-9-21-14)18-16(19)8-6-12-5-7-15(20-2)13(17)10-12/h3-11H,1-2H3,(H,18,19)/b8-6+/t11-/m1/s1
InChIKeyNUMAXPGBZPSNAU-LXSSAFMLSA-N
MW289.31 g/mol
LogP3.32
Rot. Bonds5

About (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide

(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide (PubChem CID 9482231) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
PubChem CID9482231
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccco2)cc1F
InChIInChI=1S/C16H16FNO3/c1-11(14-4-3-9-21-14)18-16(19)8-6-12-5-7-15(20-2)13(17)10-12/h3-11H,1-2H3,(H,18,19)/b8-6+/t11-/m1/s1
InChIKeyNUMAXPGBZPSNAU-LXSSAFMLSA-N
XLogP3.32
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.32
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

(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9481703
3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9482281
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 9034480
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93041518
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
N-[4-[1-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46402332
2-cyclopropyl-2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 76954397
(2S)-2-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]-4-hydroxybutanoic acid
CID 107822334
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055695
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723472
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide (CID 9482231) is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)N[C@H](C)c2ccco2)cc1F.
What is the InChIKey of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
The InChIKey is NUMAXPGBZPSNAU-LXSSAFMLSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-11(14-4-3-9-21-14)18-16(19)8-6-12-5-7-15(20-2)13(17)10-12/h3-11H,1-2H3,(H,18,19)/b8-6+/t11-/m1/s1.
What are the key properties of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide has a molecular weight of 289.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 9482231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).