[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate

C18H16BrNO3 — CID 4794970

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)c1cccc(Br)c1
InChIInChI=1S/C18H16BrNO3/c1-12-9-13-5-2-3-8-16(13)20(12)17(21)11-23-18(22)14-6-4-7-15(19)10-14/h2-8,10,12H,9,11H2,1H3
InChIKeyUCZUBHJHGAKSKQ-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.58
Rot. Bonds3

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate (PubChem CID 4794970) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate
PubChem CID4794970
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)c1cccc(Br)c1
InChIInChI=1S/C18H16BrNO3/c1-12-9-13-5-2-3-8-16(13)20(12)17(21)11-23-18(22)14-6-4-7-15(19)10-14/h2-8,10,12H,9,11H2,1H3
InChIKeyUCZUBHJHGAKSKQ-UHFFFAOYSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate (CID 4794970) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate is CC1Cc2ccccc2N1C(=O)COC(=O)c1cccc(Br)c1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate?
The InChIKey is UCZUBHJHGAKSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-12-9-13-5-2-3-8-16(13)20(12)17(21)11-23-18(22)14-6-4-7-15(19)10-14/h2-8,10,12H,9,11H2,1H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate has a molecular weight of 374.23 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-bromobenzoate is sourced from PubChem (CID 4794970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).