(3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one

C20H13Cl2NO3 — CID 7559976

IUPAC(3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
SMILESO=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc2ccccc2c1
InChIInChI=1S/C20H13Cl2NO3/c21-14-8-15(22)18-16(9-14)23-19(25)20(18,26)10-17(24)13-6-5-11-3-1-2-4-12(11)7-13/h1-9,26H,10H2,(H,23,25)/t20-/m1/s1
InChIKeyMEIOOIBXVIIIIX-HXUWFJFHSA-N
MW386.23 g/mol
LogP4.56
Rot. Bonds3

About (3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one

(3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one (PubChem CID 7559976) has the molecular formula C20H13Cl2NO3 and a molecular weight of 386.23 g/mol. Its IUPAC name is (3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
PubChem CID7559976
Molecular FormulaC20H13Cl2NO3
Molecular Weight386.23 g/mol
Exact Mass385.03
IUPAC Name(3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
SMILESO=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc2ccccc2c1
InChIInChI=1S/C20H13Cl2NO3/c21-14-8-15(22)18-16(9-14)23-19(25)20(18,26)10-17(24)13-6-5-11-3-1-2-4-12(11)7-13/h1-9,26H,10H2,(H,23,25)/t20-/m1/s1
InChIKeyMEIOOIBXVIIIIX-HXUWFJFHSA-N
XLogP4.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one?
The IUPAC name of (3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one (CID 7559976) is (3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one.
What is the SMILES notation for (3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one?
The canonical SMILES for (3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one is O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc2ccccc2c1.
What is the InChIKey of (3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one?
The InChIKey is MEIOOIBXVIIIIX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H13Cl2NO3/c21-14-8-15(22)18-16(9-14)23-19(25)20(18,26)10-17(24)13-6-5-11-3-1-2-4-12(11)7-13/h1-9,26H,10H2,(H,23,25)/t20-/m1/s1.
What are the key properties of (3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one?
(3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one has a molecular weight of 386.23 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one is sourced from PubChem (CID 7559976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).