6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one

C22H17Cl2NO2 — CID 57334375

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one
SMILESCOc1cccc(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)c1
InChIInChI=1S/C22H17Cl2NO2/c1-27-18-7-3-5-15(11-18)22(13-14-4-2-6-16(23)10-14)19-9-8-17(24)12-20(19)25-21(22)26/h2-12H,13H2,1H3,(H,25,26)
InChIKeyAFECAOVPBDBWRV-UHFFFAOYSA-N
MW398.29 g/mol
LogP5.48
Rot. Bonds4

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one (PubChem CID 57334375) has the molecular formula C22H17Cl2NO2 and a molecular weight of 398.29 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one
PubChem CID57334375
Molecular FormulaC22H17Cl2NO2
Molecular Weight398.29 g/mol
Exact Mass397.06
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one
SMILESCOc1cccc(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)c1
InChIInChI=1S/C22H17Cl2NO2/c1-27-18-7-3-5-15(11-18)22(13-14-4-2-6-16(23)10-14)19-9-8-17(24)12-20(19)25-21(22)26/h2-12H,13H2,1H3,(H,25,26)
InChIKeyAFECAOVPBDBWRV-UHFFFAOYSA-N
XLogP5.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.29
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-7-chloro-3-(3-phenoxy-phenyl)-1H-quinolin-2-one
CID 10713713
3,3-Bis-(4-hydroxy-phenyl)-5-methoxy-1,3-dihydro-indol-2-one
CID 12218509
(E)-4-chloro-3-(2-(3-methoxyphenyl)-2-oxoethylidene)indolin-2-one
CID 54586672
7-chloro-4-hydroxy-3-(3-methoxyphenyl)-2(1H)-quinolone
CID 54685508
(3S)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one
CID 57803066
7-chloro-5-ethyl-4-hydroxy-3-(3-methoxyphenyl)-1H-quinolin-2-one
CID 54728653
4-[2-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]-6-methoxyphenyl]benzonitrile
CID 90643714
(3E)-5-chloro-3-[[2-(4-chlorophenyl)-4-methoxyphenyl]methylidene]-1H-indol-2-one
CID 90643715
(3E)-3-[[2-(4-chlorophenyl)-4-methoxyphenyl]methylidene]-5-fluoro-1H-indol-2-one
CID 90643716
3,3-bis(4-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 44438714
1-(4-Chlorobenzyl)-3-hydroxy-3-(3-methoxyphenyl)indolin-2-one
CID 54587491
4,7-dichloro-3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-methyl-1H-indol-2-one
CID 49791229

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one (CID 57334375) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one is COc1cccc(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)c1.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one?
The InChIKey is AFECAOVPBDBWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO2/c1-27-18-7-3-5-15(11-18)22(13-14-4-2-6-16(23)10-14)19-9-8-17(24)12-20(19)25-21(22)26/h2-12H,13H2,1H3,(H,25,26).
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one?
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one has a molecular weight of 398.29 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 57334375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).