(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

C16H9Cl4NO3 — CID 986259

IUPAC(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl4NO3/c17-7-1-2-8(11(20)5-7)12(22)6-16(24)13-9(18)3-4-10(19)14(13)21-15(16)23/h1-5,24H,6H2,(H,21,23)/t16-/m0/s1
InChIKeyCQWCZKKNYNJFOQ-INIZCTEOSA-N
MW405.06 g/mol
LogP4.71
Rot. Bonds3

About (3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 986259) has the molecular formula C16H9Cl4NO3 and a molecular weight of 405.06 g/mol. Its IUPAC name is (3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID986259
Molecular FormulaC16H9Cl4NO3
Molecular Weight405.06 g/mol
Exact Mass402.93
IUPAC Name(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl4NO3/c17-7-1-2-8(11(20)5-7)12(22)6-16(24)13-9(18)3-4-10(19)14(13)21-15(16)23/h1-5,24H,6H2,(H,21,23)/t16-/m0/s1
InChIKeyCQWCZKKNYNJFOQ-INIZCTEOSA-N
XLogP4.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.06
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 986259) is (3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1Cl.
What is the InChIKey of (3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is CQWCZKKNYNJFOQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H9Cl4NO3/c17-7-1-2-8(11(20)5-7)12(22)6-16(24)13-9(18)3-4-10(19)14(13)21-15(16)23/h1-5,24H,6H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 405.06 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 986259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).