(3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one

C18H18FNO — CID 53327849

IUPAC(3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one
SMILESCC[C@@]1(C)C(=O)N(C)c2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C18H18FNO/c1-4-18(2)15-11-13(12-5-8-14(19)9-6-12)7-10-16(15)20(3)17(18)21/h5-11H,4H2,1-3H3/t18-/m1/s1
InChIKeyMFMOAAZTHIRMQP-GOSISDBHSA-N
MW283.35 g/mol
LogP4.14
Rot. Bonds2

About (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one

(3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one (PubChem CID 53327849) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one
PubChem CID53327849
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one
SMILESCC[C@@]1(C)C(=O)N(C)c2ccc(-c3ccc(F)cc3)cc21
InChIInChI=1S/C18H18FNO/c1-4-18(2)15-11-13(12-5-8-14(19)9-6-12)7-10-16(15)20(3)17(18)21/h5-11H,4H2,1-3H3/t18-/m1/s1
InChIKeyMFMOAAZTHIRMQP-GOSISDBHSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
N-Methyloxindole
CID 6096
N-Ethyloxindole
CID 66135
1-Phenyloxindole
CID 314787
(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
CID 5353593
3-(3,3-Dimethyl-2-oxoindolin-5-yl)benzonitrile
CID 9903358
1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride
CID 11957576
3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
Cyclopropyl 5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2,3-dihydroindole-1-carboxylate
CID 155093172
(3Z)-5-methyl-3-(2-methylbenzylidene)-1,3-dihydro-2H-indol-2-one
CID 5876476
2,3-Dihydroindol-1-yl-(2-fluorophenyl)methanone
CID 579820
3,3-bis(4-aminophenyl)-1H-indol-2-one
CID 2894099

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one?
The IUPAC name of (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one (CID 53327849) is (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one.
What is the SMILES notation for (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one?
The canonical SMILES for (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one is CC[C@@]1(C)C(=O)N(C)c2ccc(-c3ccc(F)cc3)cc21.
What is the InChIKey of (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one?
The InChIKey is MFMOAAZTHIRMQP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18FNO/c1-4-18(2)15-11-13(12-5-8-14(19)9-6-12)7-10-16(15)20(3)17(18)21/h5-11H,4H2,1-3H3/t18-/m1/s1.
What are the key properties of (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one?
(3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one has a molecular weight of 283.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 53327849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).