3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one

C19H17Cl2NO3 — CID 2977337

IUPAC3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C19H17Cl2NO3/c1-2-9-22-16-6-4-3-5-14(16)19(25,18(22)24)11-17(23)13-8-7-12(20)10-15(13)21/h3-8,10,25H,2,9,11H2,1H3
InChIKeyPQLNXIGQZYVSBC-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.21
Rot. Bonds5

About 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one

3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one (PubChem CID 2977337) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.26 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
PubChem CID2977337
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.26 g/mol
Exact Mass377.06
IUPAC Name3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C19H17Cl2NO3/c1-2-9-22-16-6-4-3-5-14(16)19(25,18(22)24)11-17(23)13-8-7-12(20)10-15(13)21/h3-8,10,25H,2,9,11H2,1H3
InChIKeyPQLNXIGQZYVSBC-UHFFFAOYSA-N
XLogP4.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 95731445
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17172710
(3R)-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1-[(2,5-dimethylphenyl)methyl]-3-hydroxyindol-2-one
CID 1425740
(3R)-1-[3-(6-chloro-3H-inden-1-yl)propyl]-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 161036183
(3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444535
(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-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 66523007
(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one
CID 7280995
1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 17077973
1-ethyl-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]indol-2-one
CID 2908702
(3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 7280994

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one (CID 2977337) is 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one is CCCN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
The InChIKey is PQLNXIGQZYVSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/c1-2-9-22-16-6-4-3-5-14(16)19(25,18(22)24)11-17(23)13-8-7-12(20)10-15(13)21/h3-8,10,25H,2,9,11H2,1H3.
What are the key properties of 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one has a molecular weight of 378.26 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one is sourced from PubChem (CID 2977337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).