(5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone

C15H12BrNO — CID 18526419

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H12BrNO/c16-13-6-7-14-12(10-13)8-9-17(14)15(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyHWRIHVQILYYLAI-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.65
Rot. Bonds1

About (5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone

(5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone (PubChem CID 18526419) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone
PubChem CID18526419
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C15H12BrNO/c16-13-6-7-14-12(10-13)8-9-17(14)15(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyHWRIHVQILYYLAI-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.65
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)-phenylmethanone?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone (CID 18526419) is (5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone?
The InChIKey is HWRIHVQILYYLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-13-6-7-14-12(10-13)8-9-17(14)15(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone?
(5-bromo-2,3-dihydroindol-1-yl)-phenylmethanone has a molecular weight of 302.17 g/mol, XLogP of 3.65, 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)-phenylmethanone is sourced from PubChem (CID 18526419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).