1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one

C11H11BrClNO — CID 82489698

IUPAC1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one
SMILESCCC(=O)N1CCc2cc(Cl)cc(Br)c21
InChIInChI=1S/C11H11BrClNO/c1-2-10(15)14-4-3-7-5-8(13)6-9(12)11(7)14/h5-6H,2-4H2,1H3
InChIKeyOPYNZINSYOYPQX-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.40
Rot. Bonds1

About 1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one

1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 82489698) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID82489698
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one
SMILESCCC(=O)N1CCc2cc(Cl)cc(Br)c21
InChIInChI=1S/C11H11BrClNO/c1-2-10(15)14-4-3-7-5-8(13)6-9(12)11(7)14/h5-6H,2-4H2,1H3
InChIKeyOPYNZINSYOYPQX-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one (CID 82489698) is 1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one is CCC(=O)N1CCc2cc(Cl)cc(Br)c21.
What is the InChIKey of 1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is OPYNZINSYOYPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-2-10(15)14-4-3-7-5-8(13)6-9(12)11(7)14/h5-6H,2-4H2,1H3.
What are the key properties of 1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one?
1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 288.57 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 82489698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).