2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone

C16H15BrN2O — CID 42069057

IUPAC2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CNc1ccccc1Br)N1CCc2ccccc21
InChIInChI=1S/C16H15BrN2O/c17-13-6-2-3-7-14(13)18-11-16(20)19-10-9-12-5-1-4-8-15(12)19/h1-8,18H,9-11H2
InChIKeyUHLWVQFUQZZUDX-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.45
Rot. Bonds3

About 2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone

2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 42069057) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID42069057
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CNc1ccccc1Br)N1CCc2ccccc21
InChIInChI=1S/C16H15BrN2O/c17-13-6-2-3-7-14(13)18-11-16(20)19-10-9-12-5-1-4-8-15(12)19/h1-8,18H,9-11H2
InChIKeyUHLWVQFUQZZUDX-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone
CID 42067940
N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9252666
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
CID 54827531
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-(4-chlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzamide
CID 18286918
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone (CID 42069057) is 2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CNc1ccccc1Br)N1CCc2ccccc21.
What is the InChIKey of 2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is UHLWVQFUQZZUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-13-6-2-3-7-14(13)18-11-16(20)19-10-9-12-5-1-4-8-15(12)19/h1-8,18H,9-11H2.
What are the key properties of 2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 331.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 42069057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).