N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide

C17H14BrN3O2 — CID 47037294

IUPACN-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1
InChIInChI=1S/C17H14BrN3O2/c1-10(22)19-11-6-8-12(9-7-11)20-17(23)16-15(18)13-4-2-3-5-14(13)21-16/h2-9,21H,1H3,(H,19,22)(H,20,23)
InChIKeyLFLVNYJRJJOUSB-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.14
Rot. Bonds3

About N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide

N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide (PubChem CID 47037294) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
PubChem CID47037294
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1
InChIInChI=1S/C17H14BrN3O2/c1-10(22)19-11-6-8-12(9-7-11)20-17(23)16-15(18)13-4-2-3-5-14(13)21-16/h2-9,21H,1H3,(H,19,22)(H,20,23)
InChIKeyLFLVNYJRJJOUSB-UHFFFAOYSA-N
XLogP4.14
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 47212938
3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide
CID 112827860
3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 60541866
3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide
CID 49422928
ethyl (E)-3-[4-[(3-bromo-1H-indole-2-carbonyl)amino]phenyl]prop-2-enoate
CID 94136409
3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
CID 55965072
3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
CID 55978070
3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 55914989
3-bromo-1H-indole-2-carboxylate
CID 2325687
2-[(3-bromo-1H-indole-2-carbonyl)amino]propanediamide
CID 47323201
(2S)-2-[(3-bromo-1H-indole-2-carbonyl)amino]-3-methylbutanoic acid
CID 100635841
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide (CID 47037294) is N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide?
The InChIKey is LFLVNYJRJJOUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-10(22)19-11-6-8-12(9-7-11)20-17(23)16-15(18)13-4-2-3-5-14(13)21-16/h2-9,21H,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide?
N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide is sourced from PubChem (CID 47037294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).