(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide

C19H20FNO3 — CID 110298659

IUPAC(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide
SMILESCOc1ccc(CNC(=O)/C(C)=C/c2ccccc2F)cc1OC
InChIInChI=1S/C19H20FNO3/c1-13(10-15-6-4-5-7-16(15)20)19(22)21-12-14-8-9-17(23-2)18(11-14)24-3/h4-11H,12H2,1-3H3,(H,21,22)/b13-10+
InChIKeyTUKNFTYYCJHYEH-JLHYYAGUSA-N
MW329.37 g/mol
LogP3.56
Rot. Bonds6

About (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide

(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide (PubChem CID 110298659) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide
PubChem CID110298659
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide
SMILESCOc1ccc(CNC(=O)/C(C)=C/c2ccccc2F)cc1OC
InChIInChI=1S/C19H20FNO3/c1-13(10-15-6-4-5-7-16(15)20)19(22)21-12-14-8-9-17(23-2)18(11-14)24-3/h4-11H,12H2,1-3H3,(H,21,22)/b13-10+
InChIKeyTUKNFTYYCJHYEH-JLHYYAGUSA-N
XLogP3.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.56
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)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 110298595
(E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide
CID 110298638
(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide
CID 110302847
(E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide
CID 110298647
N'-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985181
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904241
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 2250985
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide?
The IUPAC name of (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide (CID 110298659) is (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide?
The canonical SMILES for (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide is COc1ccc(CNC(=O)/C(C)=C/c2ccccc2F)cc1OC.
What is the InChIKey of (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide?
The InChIKey is TUKNFTYYCJHYEH-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13(10-15-6-4-5-7-16(15)20)19(22)21-12-14-8-9-17(23-2)18(11-14)24-3/h4-11H,12H2,1-3H3,(H,21,22)/b13-10+.
What are the key properties of (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide?
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide has a molecular weight of 329.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 110298659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).