ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate

C23H28FNO3 — CID 59368680

IUPACethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate
SMILESCCCN1CCc2cccc(COc3ccc(CCC(=O)OCC)c(F)c3)c21
InChIInChI=1S/C23H28FNO3/c1-3-13-25-14-12-18-6-5-7-19(23(18)25)16-28-20-10-8-17(21(24)15-20)9-11-22(26)27-4-2/h5-8,10,15H,3-4,9,11-14,16H2,1-2H3
InChIKeyGBFQCWUHBBHZDN-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.67
Rot. Bonds9

About ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate

ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate (PubChem CID 59368680) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate
PubChem CID59368680
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Nameethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate
SMILESCCCN1CCc2cccc(COc3ccc(CCC(=O)OCC)c(F)c3)c21
InChIInChI=1S/C23H28FNO3/c1-3-13-25-14-12-18-6-5-7-19(23(18)25)16-28-20-10-8-17(21(24)15-20)9-11-22(26)27-4-2/h5-8,10,15H,3-4,9,11-14,16H2,1-2H3
InChIKeyGBFQCWUHBBHZDN-UHFFFAOYSA-N
XLogP4.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate?
The IUPAC name of ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate (CID 59368680) is ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate is CCCN1CCc2cccc(COc3ccc(CCC(=O)OCC)c(F)c3)c21.
What is the InChIKey of ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate?
The InChIKey is GBFQCWUHBBHZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-3-13-25-14-12-18-6-5-7-19(23(18)25)16-28-20-10-8-17(21(24)15-20)9-11-22(26)27-4-2/h5-8,10,15H,3-4,9,11-14,16H2,1-2H3.
What are the key properties of ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate?
ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate has a molecular weight of 385.48 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoate is sourced from PubChem (CID 59368680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).