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

C15H10Br2FNO — CID 114560636

IUPAC5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3c(F)cccc3Br)ccc2N1
InChIInChI=1S/C15H10Br2FNO/c16-10-2-1-3-11(18)14(10)15(17)8-4-5-12-9(6-8)7-13(20)19-12/h1-6,15H,7H2,(H,19,20)
InChIKeyOWVWNHCXNBQVHS-UHFFFAOYSA-N
MW399.06 g/mol
LogP4.57
Rot. Bonds2

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

5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 114560636) has the molecular formula C15H10Br2FNO and a molecular weight of 399.06 g/mol. Its IUPAC name is 5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID114560636
Molecular FormulaC15H10Br2FNO
Molecular Weight399.06 g/mol
Exact Mass396.91
IUPAC Name5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3c(F)cccc3Br)ccc2N1
InChIInChI=1S/C15H10Br2FNO/c16-10-2-1-3-11(18)14(10)15(17)8-4-5-12-9(6-8)7-13(20)19-12/h1-6,15H,7H2,(H,19,20)
InChIKeyOWVWNHCXNBQVHS-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.06
LogP ≤ 54.57
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-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834
5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
CID 61098131
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one
CID 63744714
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 61084977
5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61088889
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61086410
5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82796773
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one (CID 114560636) is 5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Br)c3c(F)cccc3Br)ccc2N1.
What is the InChIKey of 5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is OWVWNHCXNBQVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2FNO/c16-10-2-1-3-11(18)14(10)15(17)8-4-5-12-9(6-8)7-13(20)19-12/h1-6,15H,7H2,(H,19,20).
What are the key properties of 5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 399.06 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 114560636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).