(3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one

C18H15Cl2NO3 — CID 7444535

IUPAC(3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C18H15Cl2NO3/c1-11(22)9-18(24)14-4-2-3-5-16(14)21(17(18)23)10-12-6-7-13(19)8-15(12)20/h2-8,24H,9-10H2,1H3/t18-/m0/s1
InChIKeyKFTUVCSTVAVNCD-SFHVURJKSA-N
MW364.23 g/mol
LogP3.71
Rot. Bonds4

About (3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one

(3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one (PubChem CID 7444535) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is (3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name(3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
PubChem CID7444535
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Name(3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C18H15Cl2NO3/c1-11(22)9-18(24)14-4-2-3-5-16(14)21(17(18)23)10-12-6-7-13(19)8-15(12)20/h2-8,24H,9-10H2,1H3/t18-/m0/s1
InChIKeyKFTUVCSTVAVNCD-SFHVURJKSA-N
XLogP3.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 17077941
1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 17077973
(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
(3R)-1-[(2-chlorophenyl)methyl]-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 7444630
(3R)-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1-[(2,5-dimethylphenyl)methyl]-3-hydroxyindol-2-one
CID 1425740
(3S)-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 95731445
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 40874882
1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 6499592
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 2977337
(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216206
1-benzyl-6-chloro-3-hydroxy-3-(2-methylprop-2-enyl)indol-2-one
CID 162398533

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one (CID 7444535) is (3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for (3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for (3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one is CC(=O)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of (3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
The InChIKey is KFTUVCSTVAVNCD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-11(22)9-18(24)14-4-2-3-5-16(14)21(17(18)23)10-12-6-7-13(19)8-15(12)20/h2-8,24H,9-10H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one?
(3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one has a molecular weight of 364.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 7444535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).