(3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one

C15H11ClFNO — CID 132608895

IUPAC(3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one
SMILESCN1C(=O)[C@@](F)(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H11ClFNO/c1-18-13-5-3-2-4-12(13)15(17,14(18)19)10-6-8-11(16)9-7-10/h2-9H,1H3/t15-/m1/s1
InChIKeyWIRGUQUZTWJJBL-OAHLLOKOSA-N
MW275.71 g/mol
LogP3.53
Rot. Bonds1

About (3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one

(3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one (PubChem CID 132608895) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one
PubChem CID132608895
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name(3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one
SMILESCN1C(=O)[C@@](F)(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H11ClFNO/c1-18-13-5-3-2-4-12(13)15(17,14(18)19)10-6-8-11(16)9-7-10/h2-9H,1H3/t15-/m1/s1
InChIKeyWIRGUQUZTWJJBL-OAHLLOKOSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one (CID 132608895) is (3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one is CN1C(=O)[C@@](F)(c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one?
The InChIKey is WIRGUQUZTWJJBL-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H11ClFNO/c1-18-13-5-3-2-4-12(13)15(17,14(18)19)10-6-8-11(16)9-7-10/h2-9H,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one?
(3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one has a molecular weight of 275.71 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-fluoro-1-methylindol-2-one is sourced from PubChem (CID 132608895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).