(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one

C21H15ClFNO2 — CID 139255413

IUPAC(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(Cc2ccc(F)cc2)c2ccc(Cl)cc2[C@]1(O)c1ccccc1
InChIInChI=1S/C21H15ClFNO2/c22-16-8-11-19-18(12-16)21(26,15-4-2-1-3-5-15)20(25)24(19)13-14-6-9-17(23)10-7-14/h1-12,26H,13H2/t21-/m1/s1
InChIKeyBRCRIYFYNWPWIR-OAQYLSRUSA-N
MW367.81 g/mol
LogP4.26
Rot. Bonds3

About (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one

(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one (PubChem CID 139255413) has the molecular formula C21H15ClFNO2 and a molecular weight of 367.81 g/mol. Its IUPAC name is (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
PubChem CID139255413
Molecular FormulaC21H15ClFNO2
Molecular Weight367.81 g/mol
Exact Mass367.08
IUPAC Name(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(Cc2ccc(F)cc2)c2ccc(Cl)cc2[C@]1(O)c1ccccc1
InChIInChI=1S/C21H15ClFNO2/c22-16-8-11-19-18(12-16)21(26,15-4-2-1-3-5-15)20(25)24(19)13-14-6-9-17(23)10-7-14/h1-12,26H,13H2/t21-/m1/s1
InChIKeyBRCRIYFYNWPWIR-OAQYLSRUSA-N
XLogP4.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
The IUPAC name of (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one (CID 139255413) is (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one.
What is the SMILES notation for (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
The canonical SMILES for (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one is O=C1N(Cc2ccc(F)cc2)c2ccc(Cl)cc2[C@]1(O)c1ccccc1.
What is the InChIKey of (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
The InChIKey is BRCRIYFYNWPWIR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H15ClFNO2/c22-16-8-11-19-18(12-16)21(26,15-4-2-1-3-5-15)20(25)24(19)13-14-6-9-17(23)10-7-14/h1-12,26H,13H2/t21-/m1/s1.
What are the key properties of (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one has a molecular weight of 367.81 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one is sourced from PubChem (CID 139255413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).