3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide

C20H22FNO5 — CID 55663401

IUPAC3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)ccc1OC
InChIInChI=1S/C20H22FNO5/c1-3-26-18-10-14(4-5-17(18)24-2)20(23)22-7-6-13-8-16(21)9-15-11-25-12-27-19(13)15/h4-5,8-10H,3,6-7,11-12H2,1-2H3,(H,22,23)
InChIKeyTZYMUMGBMIIYEE-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.07
Rot. Bonds7

About 3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide

3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide (PubChem CID 55663401) has the molecular formula C20H22FNO5 and a molecular weight of 375.40 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide
PubChem CID55663401
Molecular FormulaC20H22FNO5
Molecular Weight375.40 g/mol
Exact Mass375.15
IUPAC Name3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)ccc1OC
InChIInChI=1S/C20H22FNO5/c1-3-26-18-10-14(4-5-17(18)24-2)20(23)22-7-6-13-8-16(21)9-15-11-25-12-27-19(13)15/h4-5,8-10H,3,6-7,11-12H2,1-2H3,(H,22,23)
InChIKeyTZYMUMGBMIIYEE-UHFFFAOYSA-N
XLogP3.07
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55841613
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55665778
1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(3-methoxy-2-pyridinyl)urea
CID 75456111
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide
CID 51128406
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
CID 47180608
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
CID 55841999
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51120004
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
CID 55841485
N-[3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoylamino]phenyl]propanamide
CID 47039239

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide (CID 55663401) is 3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide is CCOc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)ccc1OC.
What is the InChIKey of 3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide?
The InChIKey is TZYMUMGBMIIYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5/c1-3-26-18-10-14(4-5-17(18)24-2)20(23)22-7-6-13-8-16(21)9-15-11-25-12-27-19(13)15/h4-5,8-10H,3,6-7,11-12H2,1-2H3,(H,22,23).
What are the key properties of 3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide?
3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide has a molecular weight of 375.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 55663401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).