ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate

C22H22FNO4 — CID 143225836

IUPACethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate
SMILESCCOC(=O)CCc1c(C)n(C(=O)c2ccccc2)c2ccc(OC)c(F)c12
InChIInChI=1S/C22H22FNO4/c1-4-28-19(25)13-10-16-14(2)24(22(26)15-8-6-5-7-9-15)17-11-12-18(27-3)21(23)20(16)17/h5-9,11-12H,4,10,13H2,1-3H3
InChIKeyDRTZXIOQRNJXAZ-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.28
Rot. Bonds6

About ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate

ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate (PubChem CID 143225836) has the molecular formula C22H22FNO4 and a molecular weight of 383.42 g/mol. Its IUPAC name is ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate
PubChem CID143225836
Molecular FormulaC22H22FNO4
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Nameethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate
SMILESCCOC(=O)CCc1c(C)n(C(=O)c2ccccc2)c2ccc(OC)c(F)c12
InChIInChI=1S/C22H22FNO4/c1-4-28-19(25)13-10-16-14(2)24(22(26)15-8-6-5-7-9-15)17-11-12-18(27-3)21(23)20(16)17/h5-9,11-12H,4,10,13H2,1-3H3
InChIKeyDRTZXIOQRNJXAZ-UHFFFAOYSA-N
XLogP4.28
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate?
The IUPAC name of ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate (CID 143225836) is ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate?
The canonical SMILES for ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate is CCOC(=O)CCc1c(C)n(C(=O)c2ccccc2)c2ccc(OC)c(F)c12.
What is the InChIKey of ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate?
The InChIKey is DRTZXIOQRNJXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4/c1-4-28-19(25)13-10-16-14(2)24(22(26)15-8-6-5-7-9-15)17-11-12-18(27-3)21(23)20(16)17/h5-9,11-12H,4,10,13H2,1-3H3.
What are the key properties of ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate?
ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate has a molecular weight of 383.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-benzoyl-4-fluoro-5-methoxy-2-methylindol-3-yl)propanoate is sourced from PubChem (CID 143225836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).