4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile

C24H20N2O2 — CID 7670955

IUPAC4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile
SMILESC[C@H]1Cc2ccccc2N1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H20N2O2/c1-17-14-21-4-2-3-5-23(21)26(17)24(27)16-28-22-12-10-20(11-13-22)19-8-6-18(15-25)7-9-19/h2-13,17H,14,16H2,1H3/t17-/m0/s1
InChIKeyBUWDZOJKZQOEMK-KRWDZBQOSA-N
MW368.44 g/mol
LogP4.58
Rot. Bonds4

About 4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile

4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile (PubChem CID 7670955) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile
PubChem CID7670955
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile
SMILESC[C@H]1Cc2ccccc2N1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H20N2O2/c1-17-14-21-4-2-3-5-23(21)26(17)24(27)16-28-22-12-10-20(11-13-22)19-8-6-18(15-25)7-9-19/h2-13,17H,14,16H2,1H3/t17-/m0/s1
InChIKeyBUWDZOJKZQOEMK-KRWDZBQOSA-N
XLogP4.58
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444567
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444569
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 23907050
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273989
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-cyanobenzoate
CID 2626241
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-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7751253

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile (CID 7670955) is 4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile is C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile?
The InChIKey is BUWDZOJKZQOEMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17-14-21-4-2-3-5-23(21)26(17)24(27)16-28-22-12-10-20(11-13-22)19-8-6-18(15-25)7-9-19/h2-13,17H,14,16H2,1H3/t17-/m0/s1.
What are the key properties of 4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile?
4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile has a molecular weight of 368.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile is sourced from PubChem (CID 7670955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).