(2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one

C23H27FN2O3 — CID 51593642

IUPAC(2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N1C[C@@H](CN2CCOCC2)c2ccccc21
InChIInChI=1S/C23H27FN2O3/c1-2-21(29-22-10-6-4-8-19(22)24)23(27)26-16-17(15-25-11-13-28-14-12-25)18-7-3-5-9-20(18)26/h3-10,17,21H,2,11-16H2,1H3/t17-,21-/m1/s1
InChIKeyFJNCPXMMWCNABN-DYESRHJHSA-N
MW398.48 g/mol
LogP3.45
Rot. Bonds6

About (2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one

(2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one (PubChem CID 51593642) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one
PubChem CID51593642
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N1C[C@@H](CN2CCOCC2)c2ccccc21
InChIInChI=1S/C23H27FN2O3/c1-2-21(29-22-10-6-4-8-19(22)24)23(27)26-16-17(15-25-11-13-28-14-12-25)18-7-3-5-9-20(18)26/h3-10,17,21H,2,11-16H2,1H3/t17-,21-/m1/s1
InChIKeyFJNCPXMMWCNABN-DYESRHJHSA-N
XLogP3.45
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one (CID 51593642) is (2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one is CC[C@@H](Oc1ccccc1F)C(=O)N1C[C@@H](CN2CCOCC2)c2ccccc21.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one?
The InChIKey is FJNCPXMMWCNABN-DYESRHJHSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-2-21(29-22-10-6-4-8-19(22)24)23(27)26-16-17(15-25-11-13-28-14-12-25)18-7-3-5-9-20(18)26/h3-10,17,21H,2,11-16H2,1H3/t17-,21-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one?
(2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one has a molecular weight of 398.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]butan-1-one is sourced from PubChem (CID 51593642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).