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

C15H10BrClFNO — CID 61096389

IUPAC5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3ccc(F)cc3)c(Cl)cc2N1
InChIInChI=1S/C15H10BrClFNO/c16-15(8-1-3-10(18)4-2-8)11-5-9-6-14(20)19-13(9)7-12(11)17/h1-5,7,15H,6H2,(H,19,20)
InChIKeyMSUWISWYIFNWFW-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.46
Rot. Bonds2

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

5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 61096389) has the molecular formula C15H10BrClFNO and a molecular weight of 354.61 g/mol. Its IUPAC name is 5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID61096389
Molecular FormulaC15H10BrClFNO
Molecular Weight354.61 g/mol
Exact Mass352.96
IUPAC Name5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3ccc(F)cc3)c(Cl)cc2N1
InChIInChI=1S/C15H10BrClFNO/c16-15(8-1-3-10(18)4-2-8)11-5-9-6-14(20)19-13(9)7-12(11)17/h1-5,7,15H,6H2,(H,19,20)
InChIKeyMSUWISWYIFNWFW-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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Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one (CID 61096389) is 5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Br)c3ccc(F)cc3)c(Cl)cc2N1.
What is the InChIKey of 5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is MSUWISWYIFNWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO/c16-15(8-1-3-10(18)4-2-8)11-5-9-6-14(20)19-13(9)7-12(11)17/h1-5,7,15H,6H2,(H,19,20).
What are the key properties of 5-[bromo-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one?
5-[bromo-(4-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-(4-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 61096389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).