(5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone

C16H11BrF3NO — CID 599399

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C16H11BrF3NO/c17-13-4-5-14-10(9-13)6-7-21(14)15(22)11-2-1-3-12(8-11)16(18,19)20/h1-5,8-9H,6-7H2
InChIKeyWHOQBTCBCNYMSB-UHFFFAOYSA-N
MW370.17 g/mol
LogP4.67
Rot. Bonds1

About (5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone

(5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 599399) has the molecular formula C16H11BrF3NO and a molecular weight of 370.17 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID599399
Molecular FormulaC16H11BrF3NO
Molecular Weight370.17 g/mol
Exact Mass369.00
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C16H11BrF3NO/c17-13-4-5-14-10(9-13)6-7-21(14)15(22)11-2-1-3-12(8-11)16(18,19)20/h1-5,8-9H,6-7H2
InChIKeyWHOQBTCBCNYMSB-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 54.67
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)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 599399) is (5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is WHOQBTCBCNYMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3NO/c17-13-4-5-14-10(9-13)6-7-21(14)15(22)11-2-1-3-12(8-11)16(18,19)20/h1-5,8-9H,6-7H2.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
(5-bromo-2,3-dihydroindol-1-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 370.17 g/mol, XLogP of 4.67, 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)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 599399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).