N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide

C20H20FNO3 — CID 144504231

IUPACN-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide
SMILESC=C(CCN(C)C(=O)c1cccc(F)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20FNO3/c1-14(15-6-7-18-19(13-15)25-11-10-24-18)8-9-22(2)20(23)16-4-3-5-17(21)12-16/h3-7,12-13H,1,8-11H2,2H3
InChIKeyDYZCYSMUBGUWCA-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.77
Rot. Bonds5

About N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide

N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide (PubChem CID 144504231) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide
PubChem CID144504231
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC NameN-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide
SMILESC=C(CCN(C)C(=O)c1cccc(F)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20FNO3/c1-14(15-6-7-18-19(13-15)25-11-10-24-18)8-9-22(2)20(23)16-4-3-5-17(21)12-16/h3-7,12-13H,1,8-11H2,2H3
InChIKeyDYZCYSMUBGUWCA-UHFFFAOYSA-N
XLogP3.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 87042710
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
N-(2-bromoethyl)-3-fluoro-N-methylbenzamide
CID 80659799
3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 154815656
N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 115673368
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
methyl 3-[1,3-benzodioxole-5-carbonyl(methyl)amino]propanoate
CID 54980166
6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine
CID 89352282
N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxobutanamide
CID 60520260
4-[1,3-benzodioxole-5-carbonyl(methyl)amino]butanoic acid
CID 43090104

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide?
The IUPAC name of N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide (CID 144504231) is N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide is C=C(CCN(C)C(=O)c1cccc(F)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide?
The InChIKey is DYZCYSMUBGUWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-14(15-6-7-18-19(13-15)25-11-10-24-18)8-9-22(2)20(23)16-4-3-5-17(21)12-16/h3-7,12-13H,1,8-11H2,2H3.
What are the key properties of N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide?
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide has a molecular weight of 341.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 144504231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).