3-benzyl-5-fluoro-1,3-dimethylindol-2-one

C17H16FNO — CID 73056129

IUPAC3-benzyl-5-fluoro-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(Cc2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C17H16FNO/c1-17(11-12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)19(2)16(17)20/h3-10H,11H2,1-2H3
InChIKeyQMFTYTIBBSVCJA-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.30
Rot. Bonds2

About 3-benzyl-5-fluoro-1,3-dimethylindol-2-one

3-benzyl-5-fluoro-1,3-dimethylindol-2-one (PubChem CID 73056129) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-benzyl-5-fluoro-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-benzyl-5-fluoro-1,3-dimethylindol-2-one
PubChem CID73056129
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name3-benzyl-5-fluoro-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(Cc2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C17H16FNO/c1-17(11-12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)19(2)16(17)20/h3-10H,11H2,1-2H3
InChIKeyQMFTYTIBBSVCJA-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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Related Compounds

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
N-Methyloxindole
CID 6096
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
N-Ethyloxindole
CID 66135
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
Supercinnamaldehyde
CID 12480412
1-Phenyloxindole
CID 314787
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
3-Phenyl-oxindole
CID 317527
(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
CID 5353593
1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride
CID 11957576
Super cinnamaldehyde
CID 12480411

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-fluoro-1,3-dimethylindol-2-one?
The IUPAC name of 3-benzyl-5-fluoro-1,3-dimethylindol-2-one (CID 73056129) is 3-benzyl-5-fluoro-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-benzyl-5-fluoro-1,3-dimethylindol-2-one?
The canonical SMILES for 3-benzyl-5-fluoro-1,3-dimethylindol-2-one is CN1C(=O)C(C)(Cc2ccccc2)c2cc(F)ccc21.
What is the InChIKey of 3-benzyl-5-fluoro-1,3-dimethylindol-2-one?
The InChIKey is QMFTYTIBBSVCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-17(11-12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)19(2)16(17)20/h3-10H,11H2,1-2H3.
What are the key properties of 3-benzyl-5-fluoro-1,3-dimethylindol-2-one?
3-benzyl-5-fluoro-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-benzyl-5-fluoro-1,3-dimethylindol-2-one is sourced from PubChem (CID 73056129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).