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

C15H10BrClFNO — CID 61097194

IUPAC5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3ccccc3F)c(Cl)cc2N1
InChIInChI=1S/C15H10BrClFNO/c16-15(9-3-1-2-4-12(9)18)10-5-8-6-14(20)19-13(8)7-11(10)17/h1-5,7,15H,6H2,(H,19,20)
InChIKeyKFTSZINWKGIAPK-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.46
Rot. Bonds2

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

5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 61097194) has the molecular formula C15H10BrClFNO and a molecular weight of 354.61 g/mol. Its IUPAC name is 5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID61097194
Molecular FormulaC15H10BrClFNO
Molecular Weight354.61 g/mol
Exact Mass352.96
IUPAC Name5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3ccccc3F)c(Cl)cc2N1
InChIInChI=1S/C15H10BrClFNO/c16-15(9-3-1-2-4-12(9)18)10-5-8-6-14(20)19-13(8)7-11(10)17/h1-5,7,15H,6H2,(H,19,20)
InChIKeyKFTSZINWKGIAPK-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Chloroethyl)-6-chlorooxindole
CID 10609474
5-(3-Chloro-phenyl)-1,3-dihydro-indol-2-one
CID 9837713
5-(3-Chloro-5-fluoro-phenyl)-3,3-dimethyl-1,3-dihydro-indol-2-one
CID 9860776
6-chloro-3,3-bis(4-fluorophenyl)-7-methyl-1H-indol-2-one
CID 44438713
5-(3-Chloro-phenyl)-3-methyl-1,3-dihydro-indol-2-one
CID 44344264
(3E)-6-chloro-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 2403389
6-Chloro-5-ethylindolin-2-one
CID 132263367
3,3-bis(4-aminophenyl)-6-chloro-7-methyl-1H-indol-2-one
CID 44438715
(3E)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962903
N-[4-[3-(4-acetamidophenyl)-6-chloro-7-methyl-2-oxo-1H-indol-3-yl]phenyl]acetamide
CID 11705023
4-Bromo-7-chloro-2-oxo-3-phenyl-1,2-dihydroquinoline-6-carbonitrile
CID 44415373
(3Z)-3-[(2-Chlorophenyl)methylidene]-5-fluoro-2,3-dihydro-1H-indol-2-one
CID 46504685

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 61097194) is 5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Br)c3ccccc3F)c(Cl)cc2N1.
What is the InChIKey of 5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is KFTSZINWKGIAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO/c16-15(9-3-1-2-4-12(9)18)10-5-8-6-14(20)19-13(8)7-11(10)17/h1-5,7,15H,6H2,(H,19,20).
What are the key properties of 5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 354.61 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 61097194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).