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

C15H11BrFNO — CID 47444516

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H11BrFNO/c16-12-3-6-14-11(9-12)7-8-18(14)15(19)10-1-4-13(17)5-2-10/h1-6,9H,7-8H2
InChIKeyIDQRKDUXLZTIPH-UHFFFAOYSA-N
MW320.16 g/mol
LogP3.79
Rot. Bonds1

About (5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone

(5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone (PubChem CID 47444516) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone
PubChem CID47444516
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H11BrFNO/c16-12-3-6-14-11(9-12)7-8-18(14)15(19)10-1-4-13(17)5-2-10/h1-6,9H,7-8H2
InChIKeyIDQRKDUXLZTIPH-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone (CID 47444516) is (5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone?
The InChIKey is IDQRKDUXLZTIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-12-3-6-14-11(9-12)7-8-18(14)15(19)10-1-4-13(17)5-2-10/h1-6,9H,7-8H2.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone?
(5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone has a molecular weight of 320.16 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroindol-1-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 47444516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).