4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide

C20H21BrN2O — CID 113085673

IUPAC4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H21BrN2O/c1-13-18(16-6-4-5-7-17(16)23-13)20(2,3)12-22-19(24)14-8-10-15(21)11-9-14/h4-11,23H,12H2,1-3H3,(H,22,24)
InChIKeyBHAXAEHKIMVMOT-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.95
Rot. Bonds4

About 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide

4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide (PubChem CID 113085673) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
PubChem CID113085673
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H21BrN2O/c1-13-18(16-6-4-5-7-17(16)23-13)20(2,3)12-22-19(24)14-8-10-15(21)11-9-14/h4-11,23H,12H2,1-3H3,(H,22,24)
InChIKeyBHAXAEHKIMVMOT-UHFFFAOYSA-N
XLogP4.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide 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

N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684
3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085675
2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085686
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-3-phenylpropanamide
CID 113085688
2-(3-fluorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085706
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
CID 115131519
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide
CID 113085726
N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
CID 111825055
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile
CID 115129802
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide?
The IUPAC name of 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide (CID 113085673) is 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide is Cc1[nH]c2ccccc2c1C(C)(C)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide?
The InChIKey is BHAXAEHKIMVMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-13-18(16-6-4-5-7-17(16)23-13)20(2,3)12-22-19(24)14-8-10-15(21)11-9-14/h4-11,23H,12H2,1-3H3,(H,22,24).
What are the key properties of 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide?
4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide has a molecular weight of 385.31 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide is sourced from PubChem (CID 113085673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).