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

C19H20FNO2 — CID 94013099

IUPAC(2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C19H20FNO2/c1-3-18(23-16-10-8-15(20)9-11-16)19(22)21-13(2)12-14-6-4-5-7-17(14)21/h4-11,13,18H,3,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyLOYOFANNNWETAC-FZKQIMNGSA-N
MW313.37 g/mol
LogP3.96
Rot. Bonds4

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

(2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one (PubChem CID 94013099) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
PubChem CID94013099
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C19H20FNO2/c1-3-18(23-16-10-8-15(20)9-11-16)19(22)21-13(2)12-14-6-4-5-7-17(14)21/h4-11,13,18H,3,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyLOYOFANNNWETAC-FZKQIMNGSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methoxyphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 28635809
2-(2,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 43909683
2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 42968436
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109040290
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 45148366
4-[(2R)-2-(4-fluorophenoxy)butanoyl]piperazine-1-carbaldehyde
CID 93487859
2-(4-fluorophenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113197482
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92685321
(2S)-2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 28579047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one (CID 94013099) is (2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one is CC[C@@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one?
The InChIKey is LOYOFANNNWETAC-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-3-18(23-16-10-8-15(20)9-11-16)19(22)21-13(2)12-14-6-4-5-7-17(14)21/h4-11,13,18H,3,12H2,1-2H3/t13-,18-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one?
(2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one has a molecular weight of 313.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one is sourced from PubChem (CID 94013099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).