5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one

C15H9BrClF2NO — CID 61097394

IUPAC5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3ccc(F)cc3F)c(Cl)cc2N1
InChIInChI=1S/C15H9BrClF2NO/c16-15(9-2-1-8(18)5-12(9)19)10-3-7-4-14(21)20-13(7)6-11(10)17/h1-3,5-6,15H,4H2,(H,20,21)
InChIKeyMASRYGSUEHSHCP-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.60
Rot. Bonds2

About 5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one

5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 61097394) has the molecular formula C15H9BrClF2NO and a molecular weight of 372.60 g/mol. Its IUPAC name is 5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID61097394
Molecular FormulaC15H9BrClF2NO
Molecular Weight372.60 g/mol
Exact Mass370.95
IUPAC Name5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3ccc(F)cc3F)c(Cl)cc2N1
InChIInChI=1S/C15H9BrClF2NO/c16-15(9-2-1-8(18)5-12(9)19)10-3-7-4-14(21)20-13(7)6-11(10)17/h1-3,5-6,15H,4H2,(H,20,21)
InChIKeyMASRYGSUEHSHCP-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.60
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-[bromo-(4-bromo-2-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63442972
5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63443106
5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457581
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 62660055
6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61084652
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
5-[bromo-(3-methoxythiophen-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 81124248
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 61097394) is 5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Br)c3ccc(F)cc3F)c(Cl)cc2N1.
What is the InChIKey of 5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is MASRYGSUEHSHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClF2NO/c16-15(9-2-1-8(18)5-12(9)19)10-3-7-4-14(21)20-13(7)6-11(10)17/h1-3,5-6,15H,4H2,(H,20,21).
What are the key properties of 5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 372.60 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,4-difluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 61097394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).