2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone

C10H10BrClN2O — CID 82489732

IUPAC2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone
SMILESNCC(=O)N1CCc2cc(Cl)cc(Br)c21
InChIInChI=1S/C10H10BrClN2O/c11-8-4-7(12)3-6-1-2-14(10(6)8)9(15)5-13/h3-4H,1-2,5,13H2
InChIKeyVKGDQXWACBRAEV-UHFFFAOYSA-N
MW289.56 g/mol
LogP1.95
Rot. Bonds1

About 2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone

2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 82489732) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is 2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone
PubChem CID82489732
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone
SMILESNCC(=O)N1CCc2cc(Cl)cc(Br)c21
InChIInChI=1S/C10H10BrClN2O/c11-8-4-7(12)3-6-1-2-14(10(6)8)9(15)5-13/h3-4H,1-2,5,13H2
InChIKeyVKGDQXWACBRAEV-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-chloroethanone
CID 82490299
1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82490244
1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
CID 82490326
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
1-(7-bromo-2,3-dihydroindol-1-yl)-2-chloroethanone
CID 166407068
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82483276
methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate
CID 82479218
1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 82483275
8-bromo-6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175518066
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone (CID 82489732) is 2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone is NCC(=O)N1CCc2cc(Cl)cc(Br)c21.
What is the InChIKey of 2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is VKGDQXWACBRAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c11-8-4-7(12)3-6-1-2-14(10(6)8)9(15)5-13/h3-4H,1-2,5,13H2.
What are the key properties of 2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone?
2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 289.56 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 82489732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).