(3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one

C19H17Cl2NO4 — CID 7444829

IUPAC(3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)C[C@@]1(O)C(=O)N(CCOc2ccccc2Cl)c2ccc(Cl)cc21
InChIInChI=1S/C19H17Cl2NO4/c1-12(23)11-19(25)14-10-13(20)6-7-16(14)22(18(19)24)8-9-26-17-5-3-2-4-15(17)21/h2-7,10,25H,8-9,11H2,1H3/t19-/m0/s1
InChIKeyJAVHWMIZCHSTIV-IBGZPJMESA-N
MW394.25 g/mol
LogP3.59
Rot. Bonds6

About (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one

(3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one (PubChem CID 7444829) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name(3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
PubChem CID7444829
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name(3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)C[C@@]1(O)C(=O)N(CCOc2ccccc2Cl)c2ccc(Cl)cc21
InChIInChI=1S/C19H17Cl2NO4/c1-12(23)11-19(25)14-10-13(20)6-7-16(14)22(18(19)24)8-9-26-17-5-3-2-4-15(17)21/h2-7,10,25H,8-9,11H2,1H3/t19-/m0/s1
InChIKeyJAVHWMIZCHSTIV-IBGZPJMESA-N
XLogP3.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[3-(2,4-dichlorophenoxy)propyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444610
(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444611
5'-chloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178118
(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-(2-oxopropyl)indol-2-one
CID 7444545
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17172710
5-chloro-1-[(4-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 6499685
5-bromo-3-hydroxy-1-(2-naphthalen-2-yloxyethyl)-3-(2-oxopropyl)indol-2-one
CID 18888736
(3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444535
5-chloro-3-hydroxy-3-(2-oxopropyl)-1-[(4-propan-2-yloxyphenyl)methyl]indol-2-one
CID 6499686
(3S)-3-hydroxy-5-methyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 7444681
3-hydroxy-1-(3-naphthalen-1-yloxypropyl)-3-(2-oxopropyl)indol-2-one
CID 6499622
7-chloro-3-hydroxy-1-[3-(2-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888558

Frequently Asked Questions

What is the IUPAC name of (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The IUPAC name of (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one (CID 7444829) is (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one is CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccccc2Cl)c2ccc(Cl)cc21.
What is the InChIKey of (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The InChIKey is JAVHWMIZCHSTIV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c1-12(23)11-19(25)14-10-13(20)6-7-16(14)22(18(19)24)8-9-26-17-5-3-2-4-15(17)21/h2-7,10,25H,8-9,11H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
(3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one has a molecular weight of 394.25 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 7444829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).