(4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone

C15H9BrF3NO — CID 112833947

IUPAC(4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C15H9BrF3NO/c16-8-1-2-11(12(18)5-8)15(21)20-4-3-10-13(19)6-9(17)7-14(10)20/h1-2,5-7H,3-4H2
InChIKeyOPPDPQHVDKOELN-UHFFFAOYSA-N
MW356.14 g/mol
LogP4.07
Rot. Bonds1

About (4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone

(4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 112833947) has the molecular formula C15H9BrF3NO and a molecular weight of 356.14 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID112833947
Molecular FormulaC15H9BrF3NO
Molecular Weight356.14 g/mol
Exact Mass354.98
IUPAC Name(4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C15H9BrF3NO/c16-8-1-2-11(12(18)5-8)15(21)20-4-3-10-13(19)6-9(17)7-14(10)20/h1-2,5-7H,3-4H2
InChIKeyOPPDPQHVDKOELN-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone (CID 112833947) is (4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Br)cc1F)N1CCc2c(F)cc(F)cc21.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is OPPDPQHVDKOELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3NO/c16-8-1-2-11(12(18)5-8)15(21)20-4-3-10-13(19)6-9(17)7-14(10)20/h1-2,5-7H,3-4H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone?
(4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 356.14 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112833947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).