5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one

C14H17Cl2NO — CID 106986700

IUPAC5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)CCC1C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H17Cl2NO/c1-14(2,3)5-4-9-10-6-8(15)7-11(16)12(10)17-13(9)18/h6-7,9H,4-5H2,1-3H3,(H,17,18)
InChIKeyWECXZUBJODGAAK-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.86
Rot. Bonds2

About 5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one

5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one (PubChem CID 106986700) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one
PubChem CID106986700
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)CCC1C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H17Cl2NO/c1-14(2,3)5-4-9-10-6-8(15)7-11(16)12(10)17-13(9)18/h6-7,9H,4-5H2,1-3H3,(H,17,18)
InChIKeyWECXZUBJODGAAK-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
CID 22462444
5-chloro-3-ethyl-7-(1-hydroxy-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 82173438
7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173752
7-(aminomethyl)-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82190658
5-(2-aminoethyl)-7-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82190581
7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82173429
3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one
CID 131282881
3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one
CID 63555300
6-chloro-3-(3,3-dimethyl-5-nitropentyl)-1,3-dihydroindol-2-one
CID 123188323
5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 139530003
7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
CID 82104773
7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190653

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one (CID 106986700) is 5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one is CC(C)(C)CCC1C(=O)Nc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one?
The InChIKey is WECXZUBJODGAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-14(2,3)5-4-9-10-6-8(15)7-11(16)12(10)17-13(9)18/h6-7,9H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one?
5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one has a molecular weight of 286.20 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).