N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide

C18H17BrN2O — CID 113211482

IUPACN-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
SMILESCc1c(CC(=O)Nc2ccccc2Br)c2ccccc2n1C
InChIInChI=1S/C18H17BrN2O/c1-12-14(13-7-3-6-10-17(13)21(12)2)11-18(22)20-16-9-5-4-8-15(16)19/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyIFLUXEQNYWQTDX-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.43
Rot. Bonds3

About N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide

N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide (PubChem CID 113211482) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
PubChem CID113211482
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC NameN-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
SMILESCc1c(CC(=O)Nc2ccccc2Br)c2ccccc2n1C
InChIInChI=1S/C18H17BrN2O/c1-12-14(13-7-3-6-10-17(13)21(12)2)11-18(22)20-16-9-5-4-8-15(16)19/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyIFLUXEQNYWQTDX-UHFFFAOYSA-N
XLogP4.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.43
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

N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211498
2-(1,2-dimethylindol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110768894
N-[4-(diethylamino)-2-methylphenyl]-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211503
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113211474
N-(2-bromophenyl)-2-(1-methoxyindol-3-yl)acetamide
CID 141490301
2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113211478
N-(2-bromophenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 31289097
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
CID 22522913

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide (CID 113211482) is N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide is Cc1c(CC(=O)Nc2ccccc2Br)c2ccccc2n1C.
What is the InChIKey of N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
The InChIKey is IFLUXEQNYWQTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-12-14(13-7-3-6-10-17(13)21(12)2)11-18(22)20-16-9-5-4-8-15(16)19/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide has a molecular weight of 357.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide is sourced from PubChem (CID 113211482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).