2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone

C11H11BrN2O — CID 82379701

IUPAC2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone
SMILESCn1c(C(=O)CN)cc2cccc(Br)c21
InChIInChI=1S/C11H11BrN2O/c1-14-9(10(15)6-13)5-7-3-2-4-8(12)11(7)14/h2-5H,6,13H2,1H3
InChIKeyFZEQEIZOEOLGCW-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.08
Rot. Bonds2

About 2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone

2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone (PubChem CID 82379701) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone
PubChem CID82379701
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone
SMILESCn1c(C(=O)CN)cc2cccc(Br)c21
InChIInChI=1S/C11H11BrN2O/c1-14-9(10(15)6-13)5-7-3-2-4-8(12)11(7)14/h2-5H,6,13H2,1H3
InChIKeyFZEQEIZOEOLGCW-UHFFFAOYSA-N
XLogP2.08
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide
CID 171662965
N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine
CID 82665313
3-(7-bromo-1-methylindol-2-yl)-2-methylpropanoic acid
CID 117196879
ethyl 7-bromo-1-butylindole-2-carboxylate
CID 171662940
3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid
CID 84646654
7-bromo-N,N,1-triethylindole-2-carboxamide
CID 171663013
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
6-(7-bromo-1-methylindol-2-yl)pyridin-3-amine
CID 115110384
ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate
CID 178180601
2-amino-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanone
CID 84808191
3-(7-bromo-1-ethylindol-2-yl)propan-1-amine
CID 117196972
(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone
CID 171663017

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone?
The IUPAC name of 2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone (CID 82379701) is 2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone is Cn1c(C(=O)CN)cc2cccc(Br)c21.
What is the InChIKey of 2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone?
The InChIKey is FZEQEIZOEOLGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-14-9(10(15)6-13)5-7-3-2-4-8(12)11(7)14/h2-5H,6,13H2,1H3.
What are the key properties of 2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone?
2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone has a molecular weight of 267.13 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone is sourced from PubChem (CID 82379701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).