(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one

C17H15BrFNO — CID 26367927

IUPAC(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)[C@H](Cc2ccccc2F)c2cc(Br)ccc21
InChIInChI=1S/C17H15BrFNO/c1-2-20-16-8-7-12(18)10-13(16)14(17(20)21)9-11-5-3-4-6-15(11)19/h3-8,10,14H,2,9H2,1H3/t14-/m1/s1
InChIKeyXEVJHPDBNINHFM-CQSZACIVSA-N
MW348.22 g/mol
LogP4.28
Rot. Bonds3

About (3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one

(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one (PubChem CID 26367927) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is (3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
PubChem CID26367927
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)[C@H](Cc2ccccc2F)c2cc(Br)ccc21
InChIInChI=1S/C17H15BrFNO/c1-2-20-16-8-7-12(18)10-13(16)14(17(20)21)9-11-5-3-4-6-15(11)19/h3-8,10,14H,2,9H2,1H3/t14-/m1/s1
InChIKeyXEVJHPDBNINHFM-CQSZACIVSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one?
The IUPAC name of (3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one (CID 26367927) is (3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for (3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one?
The canonical SMILES for (3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one is CCN1C(=O)[C@H](Cc2ccccc2F)c2cc(Br)ccc21.
What is the InChIKey of (3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one?
The InChIKey is XEVJHPDBNINHFM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-2-20-16-8-7-12(18)10-13(16)14(17(20)21)9-11-5-3-4-6-15(11)19/h3-8,10,14H,2,9H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one?
(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one has a molecular weight of 348.22 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 26367927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).