(3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one

C22H24ClNO2 — CID 135030406

IUPAC(3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one
SMILESCN1C(=O)[C@](C)(CCCC(=O)CCc2ccccc2)c2cccc(Cl)c21
InChIInChI=1S/C22H24ClNO2/c1-22(18-11-6-12-19(23)20(18)24(2)21(22)26)15-7-10-17(25)14-13-16-8-4-3-5-9-16/h3-6,8-9,11-12H,7,10,13-15H2,1-2H3/t22-/m1/s1
InChIKeyRMIZHBAOLCQGDT-JOCHJYFZSA-N
MW369.89 g/mol
LogP4.95
Rot. Bonds7

About (3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one

(3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one (PubChem CID 135030406) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is (3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one.

Molecular Properties

Compound Name(3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one
PubChem CID135030406
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name(3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one
SMILESCN1C(=O)[C@](C)(CCCC(=O)CCc2ccccc2)c2cccc(Cl)c21
InChIInChI=1S/C22H24ClNO2/c1-22(18-11-6-12-19(23)20(18)24(2)21(22)26)15-7-10-17(25)14-13-16-8-4-3-5-9-16/h3-6,8-9,11-12H,7,10,13-15H2,1-2H3/t22-/m1/s1
InChIKeyRMIZHBAOLCQGDT-JOCHJYFZSA-N
XLogP4.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3-ethyl-1,3-dimethylindol-2-one
CID 121011616
7-chloro-1-phenylheptan-3-one
CID 57471587
8-methyl-1-phenyl-7-propan-2-ylnonan-3-one
CID 167622753
1,9-diphenylnonan-5-one
CID 23467830
2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one
CID 58425289
1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione
CID 175687035
2-(1-benzyl-3,7-dimethyl-2-oxoindol-3-yl)acetic acid
CID 175312134
7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 150804057
1-phenylnonane-3,5-dione
CID 14763643
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione
CID 110191669
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372

Frequently Asked Questions

What is the IUPAC name of (3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one?
The IUPAC name of (3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one (CID 135030406) is (3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one.
What is the SMILES notation for (3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one?
The canonical SMILES for (3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one is CN1C(=O)[C@](C)(CCCC(=O)CCc2ccccc2)c2cccc(Cl)c21.
What is the InChIKey of (3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one?
The InChIKey is RMIZHBAOLCQGDT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24ClNO2/c1-22(18-11-6-12-19(23)20(18)24(2)21(22)26)15-7-10-17(25)14-13-16-8-4-3-5-9-16/h3-6,8-9,11-12H,7,10,13-15H2,1-2H3/t22-/m1/s1.
What are the key properties of (3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one?
(3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one has a molecular weight of 369.89 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one is sourced from PubChem (CID 135030406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).