2-(5-bromo-1,2-dimethylindol-3-yl)acetamide

C12H13BrN2O — CID 82502196

IUPAC2-(5-bromo-1,2-dimethylindol-3-yl)acetamide
SMILESCc1c(CC(N)=O)c2cc(Br)ccc2n1C
InChIInChI=1S/C12H13BrN2O/c1-7-9(6-12(14)16)10-5-8(13)3-4-11(10)15(7)2/h3-5H,6H2,1-2H3,(H2,14,16)
InChIKeyRXENCIUPOAFPJA-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.28
Rot. Bonds2

About 2-(5-bromo-1,2-dimethylindol-3-yl)acetamide

2-(5-bromo-1,2-dimethylindol-3-yl)acetamide (PubChem CID 82502196) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-(5-bromo-1,2-dimethylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-1,2-dimethylindol-3-yl)acetamide
PubChem CID82502196
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-(5-bromo-1,2-dimethylindol-3-yl)acetamide
SMILESCc1c(CC(N)=O)c2cc(Br)ccc2n1C
InChIInChI=1S/C12H13BrN2O/c1-7-9(6-12(14)16)10-5-8(13)3-4-11(10)15(7)2/h3-5H,6H2,1-2H3,(H2,14,16)
InChIKeyRXENCIUPOAFPJA-UHFFFAOYSA-N
XLogP2.28
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-1,2-dimethylindol-3-yl)butan-2-one
CID 82502307
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
2-(1,5-dimethyl-2-pentylindol-3-yl)acetamide
CID 175185429
3-amino-5-bromo-1-methylindole-2-carboxylic acid
CID 83825958
2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025396
2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide
CID 10732494
3-[5-bromo-1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]propanoic acid
CID 22148971
2-(6-bromo-1,2-dimethylindol-3-yl)-2-hydroxyacetic acid
CID 115073021
1-(5,6-dimethyl-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-one
CID 82497831
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
2-amino-3-(2-bromo-5-chloro-1-methylindol-3-yl)propanoic acid
CID 84646340

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,2-dimethylindol-3-yl)acetamide?
The IUPAC name of 2-(5-bromo-1,2-dimethylindol-3-yl)acetamide (CID 82502196) is 2-(5-bromo-1,2-dimethylindol-3-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-1,2-dimethylindol-3-yl)acetamide?
The canonical SMILES for 2-(5-bromo-1,2-dimethylindol-3-yl)acetamide is Cc1c(CC(N)=O)c2cc(Br)ccc2n1C.
What is the InChIKey of 2-(5-bromo-1,2-dimethylindol-3-yl)acetamide?
The InChIKey is RXENCIUPOAFPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-7-9(6-12(14)16)10-5-8(13)3-4-11(10)15(7)2/h3-5H,6H2,1-2H3,(H2,14,16).
What are the key properties of 2-(5-bromo-1,2-dimethylindol-3-yl)acetamide?
2-(5-bromo-1,2-dimethylindol-3-yl)acetamide has a molecular weight of 281.15 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,2-dimethylindol-3-yl)acetamide is sourced from PubChem (CID 82502196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).