[2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C22H17Cl2NO2 — CID 59294510

IUPAC[2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C22H17Cl2NO2/c1-14-12-15-6-2-4-8-19(15)25(14)22(26)17-7-3-5-9-20(17)27-21-13-16(23)10-11-18(21)24/h2-11,13-14H,12H2,1H3
InChIKeyHMMOPFNJWUWQLH-UHFFFAOYSA-N
MW398.29 g/mol
LogP6.38
Rot. Bonds3

About [2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 59294510) has the molecular formula C22H17Cl2NO2 and a molecular weight of 398.29 g/mol. Its IUPAC name is [2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID59294510
Molecular FormulaC22H17Cl2NO2
Molecular Weight398.29 g/mol
Exact Mass397.06
IUPAC Name[2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C22H17Cl2NO2/c1-14-12-15-6-2-4-8-19(15)25(14)22(26)17-7-3-5-9-20(17)27-21-13-16(23)10-11-18(21)24/h2-11,13-14H,12H2,1H3
InChIKeyHMMOPFNJWUWQLH-UHFFFAOYSA-N
XLogP6.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.29
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55524756
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
CID 7347294
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7865690
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477010

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 59294510) is [2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccccc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is HMMOPFNJWUWQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO2/c1-14-12-15-6-2-4-8-19(15)25(14)22(26)17-7-3-5-9-20(17)27-21-13-16(23)10-11-18(21)24/h2-11,13-14H,12H2,1H3.
What are the key properties of [2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 398.29 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 59294510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).