5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one

C20H23Cl2N3O — CID 19076397

IUPAC5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one
SMILESCCN(CC)CCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C20H23Cl2N3O/c1-3-25(4-2)12-11-23-20(15-7-5-6-8-17(15)22)16-13-14(21)9-10-18(16)24-19(20)26/h5-10,13,23H,3-4,11-12H2,1-2H3,(H,24,26)
InChIKeyJIUVJIBEGVZYEC-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.12
Rot. Bonds7

About 5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one

5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one (PubChem CID 19076397) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one
PubChem CID19076397
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one
SMILESCCN(CC)CCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C20H23Cl2N3O/c1-3-25(4-2)12-11-23-20(15-7-5-6-8-17(15)22)16-13-14(21)9-10-18(16)24-19(20)26/h5-10,13,23H,3-4,11-12H2,1-2H3,(H,24,26)
InChIKeyJIUVJIBEGVZYEC-UHFFFAOYSA-N
XLogP4.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(2-chlorophenyl)-3-[2-[di(propan-2-yl)amino]ethylamino]-1H-indol-2-one
CID 19076494
5-chloro-3-(2-chlorophenyl)-3-(2-piperidin-1-ylethylamino)-1H-indol-2-one
CID 19076583
5-chloro-3-(2-chlorophenyl)-3-[(2-hydroxy-1-phenylethyl)amino]-1H-indol-2-one
CID 19076370
tert-butyl 2-[[2-[[5-chloro-3-(2-chlorophenyl)-2-oxo-1H-indol-3-yl]amino]-2-oxoethyl]-methylamino]acetate
CID 19076561
4-[[5-chloro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]amino]-3,3-dimethylbutanoic acid
CID 174402555
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719878
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
(3S)-3-amino-5-chloro-3-(hydroxymethyl)-1H-indol-2-one
CID 130804081
5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one
CID 138968426
(3R)-5-chloro-3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one
CID 6957295
8'-chloro-4'-phenylspiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one
CID 11025587

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one (CID 19076397) is 5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one is CCN(CC)CCNC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one?
The InChIKey is JIUVJIBEGVZYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-3-25(4-2)12-11-23-20(15-7-5-6-8-17(15)22)16-13-14(21)9-10-18(16)24-19(20)26/h5-10,13,23H,3-4,11-12H2,1-2H3,(H,24,26).
What are the key properties of 5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one?
5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one has a molecular weight of 392.33 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chlorophenyl)-3-[2-(diethylamino)ethylamino]-1H-indol-2-one is sourced from PubChem (CID 19076397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).