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

C15H10BrClFNO — CID 61084977

IUPAC5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)c3cc(Br)ccc3F)ccc2N1
InChIInChI=1S/C15H10BrClFNO/c16-10-2-3-12(18)11(7-10)15(17)8-1-4-13-9(5-8)6-14(20)19-13/h1-5,7,15H,6H2,(H,19,20)
InChIKeyXCGUFSXXKDLIIF-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.41
Rot. Bonds2

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

5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one (PubChem CID 61084977) has the molecular formula C15H10BrClFNO and a molecular weight of 354.61 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one
PubChem CID61084977
Molecular FormulaC15H10BrClFNO
Molecular Weight354.61 g/mol
Exact Mass352.96
IUPAC Name5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)c3cc(Br)ccc3F)ccc2N1
InChIInChI=1S/C15H10BrClFNO/c16-10-2-3-12(18)11(7-10)15(17)8-1-4-13-9(5-8)6-14(20)19-13/h1-5,7,15H,6H2,(H,19,20)
InChIKeyXCGUFSXXKDLIIF-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
6-[chloro-(2,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 114374918
5-[(2-bromo-5-methylphenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 81111417
5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
CID 61086610
6-[(3-bromo-4-fluorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107955914
5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 79755388
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 107991147
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107991468
5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 114560636
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61086410
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one (CID 61084977) is 5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)c3cc(Br)ccc3F)ccc2N1.
What is the InChIKey of 5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one?
The InChIKey is XCGUFSXXKDLIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO/c16-10-2-3-12(18)11(7-10)15(17)8-1-4-13-9(5-8)6-14(20)19-13/h1-5,7,15H,6H2,(H,19,20).
What are the key properties of 5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one?
5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one has a molecular weight of 354.61 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61084977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).