(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

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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).