5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one

C16H12BrClFNO — CID 61097336

IUPAC5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)Cc3c(F)cccc3Cl)ccc2N1
InChIInChI=1S/C16H12BrClFNO/c17-12(8-11-13(18)2-1-3-14(11)19)9-4-5-15-10(6-9)7-16(21)20-15/h1-6,12H,7-8H2,(H,20,21)
InChIKeyZWLPKLGWQSVEIU-UHFFFAOYSA-N
MW368.63 g/mol
LogP4.65
Rot. Bonds3

About 5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one

5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one (PubChem CID 61097336) has the molecular formula C16H12BrClFNO and a molecular weight of 368.63 g/mol. Its IUPAC name is 5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
PubChem CID61097336
Molecular FormulaC16H12BrClFNO
Molecular Weight368.63 g/mol
Exact Mass366.98
IUPAC Name5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)Cc3c(F)cccc3Cl)ccc2N1
InChIInChI=1S/C16H12BrClFNO/c17-12(8-11-13(18)2-1-3-14(11)19)9-4-5-15-10(6-9)7-16(21)20-15/h1-6,12H,7-8H2,(H,20,21)
InChIKeyZWLPKLGWQSVEIU-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one (CID 61097336) is 5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Br)Cc3c(F)cccc3Cl)ccc2N1.
What is the InChIKey of 5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is ZWLPKLGWQSVEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClFNO/c17-12(8-11-13(18)2-1-3-14(11)19)9-4-5-15-10(6-9)7-16(21)20-15/h1-6,12H,7-8H2,(H,20,21).
What are the key properties of 5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one?
5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 368.63 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61097336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).