(3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one

C16H13Cl2NO — CID 178002965

IUPAC(3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one
SMILESCc1cc(Cl)c2c(c1)NC(=O)[C@@]2(C)c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl2NO/c1-9-6-12(18)14-13(7-9)19-15(20)16(14,2)10-4-3-5-11(17)8-10/h3-8H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyXOMZRRUEHFSKMU-INIZCTEOSA-N
MW306.19 g/mol
LogP4.56
Rot. Bonds1

About (3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one

(3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one (PubChem CID 178002965) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is (3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one
PubChem CID178002965
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name(3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one
SMILESCc1cc(Cl)c2c(c1)NC(=O)[C@@]2(C)c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl2NO/c1-9-6-12(18)14-13(7-9)19-15(20)16(14,2)10-4-3-5-11(17)8-10/h3-8H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyXOMZRRUEHFSKMU-INIZCTEOSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one?
The IUPAC name of (3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one (CID 178002965) is (3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one.
What is the SMILES notation for (3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one?
The canonical SMILES for (3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one is Cc1cc(Cl)c2c(c1)NC(=O)[C@@]2(C)c1cccc(Cl)c1.
What is the InChIKey of (3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one?
The InChIKey is XOMZRRUEHFSKMU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-9-6-12(18)14-13(7-9)19-15(20)16(14,2)10-4-3-5-11(17)8-10/h3-8H,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one?
(3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one has a molecular weight of 306.19 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one is sourced from PubChem (CID 178002965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).