N-(6-bromo-1H-indol-3-yl)acetamide

C10H9BrN2O — CID 70122849

IUPACN-(6-bromo-1H-indol-3-yl)acetamide
SMILESCC(=O)Nc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C10H9BrN2O/c1-6(14)13-10-5-12-9-4-7(11)2-3-8(9)10/h2-5,12H,1H3,(H,13,14)
InChIKeyVPFGDFSUDIWTAU-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.89
Rot. Bonds1

About N-(6-bromo-1H-indol-3-yl)acetamide

N-(6-bromo-1H-indol-3-yl)acetamide (PubChem CID 70122849) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is N-(6-bromo-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-1H-indol-3-yl)acetamide
PubChem CID70122849
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC NameN-(6-bromo-1H-indol-3-yl)acetamide
SMILESCC(=O)Nc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C10H9BrN2O/c1-6(14)13-10-5-12-9-4-7(11)2-3-8(9)10/h2-5,12H,1H3,(H,13,14)
InChIKeyVPFGDFSUDIWTAU-UHFFFAOYSA-N
XLogP2.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6-bromo-1H-indol-3-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167945836
2-amino-N-(6-bromo-1H-indol-3-yl)-2-(1-methylcyclopropyl)acetamide
CID 166276758
(E)-3-(6-bromo-1H-indol-3-yl)prop-2-enoic acid
CID 14847255
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
CID 135045023
N-(6-methyl-1H-indol-3-yl)butanamide
CID 175196130
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 162765726
3-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-N-(6-bromo-1H-indol-3-yl)propanamide;2,2,2-trifluoroacetic acid
CID 166363570
N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
CID 113206476
6-bromo-3-[2-(6-bromo-1H-indol-3-yl)propan-2-yl]-1H-indole
CID 155941539
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
6-bromo-N-(1H-indol-3-yl)-1-benzofuran-2-carboxamide
CID 112526905

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1H-indol-3-yl)acetamide?
The IUPAC name of N-(6-bromo-1H-indol-3-yl)acetamide (CID 70122849) is N-(6-bromo-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(6-bromo-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(6-bromo-1H-indol-3-yl)acetamide is CC(=O)Nc1c[nH]c2cc(Br)ccc12.
What is the InChIKey of N-(6-bromo-1H-indol-3-yl)acetamide?
The InChIKey is VPFGDFSUDIWTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6(14)13-10-5-12-9-4-7(11)2-3-8(9)10/h2-5,12H,1H3,(H,13,14).
What are the key properties of N-(6-bromo-1H-indol-3-yl)acetamide?
N-(6-bromo-1H-indol-3-yl)acetamide has a molecular weight of 253.10 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1H-indol-3-yl)acetamide is sourced from PubChem (CID 70122849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).