2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C17H15ClFNO2 — CID 7751253

IUPAC2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H15ClFNO2/c1-11-8-12-4-2-3-5-16(12)20(11)17(21)10-22-13-6-7-15(19)14(18)9-13/h2-7,9,11H,8,10H2,1H3/t11-/m0/s1
InChIKeyMYHIPOXTAPWOGO-NSHDSACASA-N
MW319.76 g/mol
LogP3.84
Rot. Bonds3

About 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 7751253) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID7751253
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC Name2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H15ClFNO2/c1-11-8-12-4-2-3-5-16(12)20(11)17(21)10-22-13-6-7-15(19)14(18)9-13/h2-7,9,11H,8,10H2,1H3/t11-/m0/s1
InChIKeyMYHIPOXTAPWOGO-NSHDSACASA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619953
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444569
3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444567
N-[3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7697850
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2429810
(E)-3-(3-chloro-4-fluorophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 16547585

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 7751253) is 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MYHIPOXTAPWOGO-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClFNO2/c1-11-8-12-4-2-3-5-16(12)20(11)17(21)10-22-13-6-7-15(19)14(18)9-13/h2-7,9,11H,8,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 319.76 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 7751253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).