3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one

C17H16FNO — CID 73057554

IUPAC3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H16FNO/c1-17(11-12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)19(2)16(17)20/h3-10H,11H2,1-2H3
InChIKeyNYENVKRNXLOCGZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.30
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one

3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one (PubChem CID 73057554) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one
PubChem CID73057554
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H16FNO/c1-17(11-12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)19(2)16(17)20/h3-10H,11H2,1-2H3
InChIKeyNYENVKRNXLOCGZ-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one (CID 73057554) is 3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one is CN1C(=O)C(C)(Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one?
The InChIKey is NYENVKRNXLOCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-17(11-12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)19(2)16(17)20/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one?
3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one has a molecular weight of 269.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1,3-dimethylindol-2-one is sourced from PubChem (CID 73057554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).