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

C22H22FNO3 — CID 57328556

IUPAC4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCc2cccc(OC)c2)C(c2ccc(F)cc2)OC1
InChIInChI=1S/C22H22FNO3/c1-3-16-14-27-21(17-7-9-18(23)10-8-17)20(16)22(25)24-12-11-15-5-4-6-19(13-15)26-2/h3-10,13,21H,1,11-12,14H2,2H3,(H,24,25)
InChIKeyWCRUAAJWDBNDJM-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.75
Rot. Bonds7

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

4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide (PubChem CID 57328556) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound Name4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
PubChem CID57328556
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCc2cccc(OC)c2)C(c2ccc(F)cc2)OC1
InChIInChI=1S/C22H22FNO3/c1-3-16-14-27-21(17-7-9-18(23)10-8-17)20(16)22(25)24-12-11-15-5-4-6-19(13-15)26-2/h3-10,13,21H,1,11-12,14H2,2H3,(H,24,25)
InChIKeyWCRUAAJWDBNDJM-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

N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 10704222
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 871055
N-[(E)-3-(3-methoxyphenyl)-3-phenylprop-2-enyl]cyclobutanecarboxamide
CID 16094585
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
CID 155520229
N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide
CID 155531392
4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 1716197
N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 1720819
4-(4-methoxy-2-methylphenyl)-N-(2-phenylethyl)butanamide
CID 4448752
3-(2,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 7935389
N-[2-(3-methoxyphenyl)ethyl]pentanamide
CID 10823664
N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide
CID 14901813
N-[3-(2-fluoro-5-methoxyphenyl)propyl]butanamide
CID 22922644

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of 4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide (CID 57328556) is 4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for 4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for 4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NCCc2cccc(OC)c2)C(c2ccc(F)cc2)OC1.
What is the InChIKey of 4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide?
The InChIKey is WCRUAAJWDBNDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-3-16-14-27-21(17-7-9-18(23)10-8-17)20(16)22(25)24-12-11-15-5-4-6-19(13-15)26-2/h3-10,13,21H,1,11-12,14H2,2H3,(H,24,25).
What are the key properties of 4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide?
4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-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-2-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 57328556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).