(3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one

C15H11ClFNO2 — CID 139255424

IUPAC(3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)[C@@](O)(c2ccc(F)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H11ClFNO2/c1-18-13-7-4-10(16)8-12(13)15(20,14(18)19)9-2-5-11(17)6-3-9/h2-8,20H,1H3/t15-/m1/s1
InChIKeyQISCDFGVMJCPAK-OAHLLOKOSA-N
MW291.71 g/mol
LogP2.69
Rot. Bonds1

About (3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one

(3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one (PubChem CID 139255424) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is (3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one
PubChem CID139255424
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name(3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)[C@@](O)(c2ccc(F)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H11ClFNO2/c1-18-13-7-4-10(16)8-12(13)15(20,14(18)19)9-2-5-11(17)6-3-9/h2-8,20H,1H3/t15-/m1/s1
InChIKeyQISCDFGVMJCPAK-OAHLLOKOSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one?
The IUPAC name of (3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one (CID 139255424) is (3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for (3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for (3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one is CN1C(=O)[C@@](O)(c2ccc(F)cc2)c2cc(Cl)ccc21.
What is the InChIKey of (3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one?
The InChIKey is QISCDFGVMJCPAK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c1-18-13-7-4-10(16)8-12(13)15(20,14(18)19)9-2-5-11(17)6-3-9/h2-8,20H,1H3/t15-/m1/s1.
What are the key properties of (3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one?
(3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one has a molecular weight of 291.71 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-(4-fluorophenyl)-3-hydroxy-1-methylindol-2-one is sourced from PubChem (CID 139255424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).