4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide

C22H22FNO3 — CID 57328776

IUPAC4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCc2ccccc2F)C(c2ccc(OC)cc2)OC1
InChIInChI=1S/C22H22FNO3/c1-3-15-14-27-21(17-8-10-18(26-2)11-9-17)20(15)22(25)24-13-12-16-6-4-5-7-19(16)23/h3-11,21H,1,12-14H2,2H3,(H,24,25)
InChIKeyDBXARRLLLDLTAX-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.75
Rot. Bonds7

About 4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide

4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide (PubChem CID 57328776) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound Name4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide
PubChem CID57328776
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCc2ccccc2F)C(c2ccc(OC)cc2)OC1
InChIInChI=1S/C22H22FNO3/c1-3-15-14-27-21(17-8-10-18(26-2)11-9-17)20(15)22(25)24-13-12-16-6-4-5-7-19(16)23/h3-11,21H,1,12-14H2,2H3,(H,24,25)
InChIKeyDBXARRLLLDLTAX-UHFFFAOYSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide
CID 71504926
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963012
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 9011066
N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110411078
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
N-[2-(2-fluorophenyl)ethyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392820
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of 4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide (CID 57328776) is 4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for 4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for 4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NCCc2ccccc2F)C(c2ccc(OC)cc2)OC1.
What is the InChIKey of 4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
The InChIKey is DBXARRLLLDLTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-3-15-14-27-21(17-8-10-18(26-2)11-9-17)20(15)22(25)24-13-12-16-6-4-5-7-19(16)23/h3-11,21H,1,12-14H2,2H3,(H,24,25).
What are the key properties of 4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 57328776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).