(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one

C17H16FNO — CID 26367911

IUPAC(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)[C@H](Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C17H16FNO/c1-2-19-16-10-6-4-8-13(16)14(17(19)20)11-12-7-3-5-9-15(12)18/h3-10,14H,2,11H2,1H3/t14-/m1/s1
InChIKeyVYWUGEGQORFNPZ-CQSZACIVSA-N
MW269.32 g/mol
LogP3.52
Rot. Bonds3

About (3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one

(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one (PubChem CID 26367911) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
PubChem CID26367911
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)[C@H](Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C17H16FNO/c1-2-19-16-10-6-4-8-13(16)14(17(19)20)11-12-7-3-5-9-15(12)18/h3-10,14H,2,11H2,1H3/t14-/m1/s1
InChIKeyVYWUGEGQORFNPZ-CQSZACIVSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ropinirole
CID 5095
Ropinirole Hydrochloride
CID 68727
N-Methyloxindole
CID 6096
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
N-Ethyloxindole
CID 66135
3-Methyloxindole
CID 150923
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
1-benzyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
CID 1479828
Supercinnamaldehyde
CID 12480412
1-Phenyloxindole
CID 314787
1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide
CID 5328618

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one?
The IUPAC name of (3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one (CID 26367911) is (3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for (3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one?
The canonical SMILES for (3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one is CCN1C(=O)[C@H](Cc2ccccc2F)c2ccccc21.
What is the InChIKey of (3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one?
The InChIKey is VYWUGEGQORFNPZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16FNO/c1-2-19-16-10-6-4-8-13(16)14(17(19)20)11-12-7-3-5-9-15(12)18/h3-10,14H,2,11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one?
(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one has a molecular weight of 269.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 26367911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).