N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide

C21H23BrN2O — CID 55716276

IUPACN-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(C)(CNC(=O)CCc1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C21H23BrN2O/c1-21(2,16-8-10-17(22)11-9-16)14-24-20(25)12-7-15-13-23-19-6-4-3-5-18(15)19/h3-6,8-11,13,23H,7,12,14H2,1-2H3,(H,24,25)
InChIKeyIWUDFEYCCLYWEA-UHFFFAOYSA-N
MW399.33 g/mol
LogP4.96
Rot. Bonds6

About N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide

N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 55716276) has the molecular formula C21H23BrN2O and a molecular weight of 399.33 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
PubChem CID55716276
Molecular FormulaC21H23BrN2O
Molecular Weight399.33 g/mol
Exact Mass398.10
IUPAC NameN-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(C)(CNC(=O)CCc1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C21H23BrN2O/c1-21(2,16-8-10-17(22)11-9-16)14-24-20(25)12-7-15-13-23-19-6-4-3-5-18(15)19/h3-6,8-11,13,23H,7,12,14H2,1-2H3,(H,24,25)
InChIKeyIWUDFEYCCLYWEA-UHFFFAOYSA-N
XLogP4.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
methyl (2R)-2-(4-bromophenyl)-2-[3-(1H-indol-3-yl)propanoyl-methylamino]propanoate
CID 95774545
N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide
CID 41099576
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
CID 115636757
N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115884530

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide (CID 55716276) is N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide is CC(C)(CNC(=O)CCc1c[nH]c2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is IWUDFEYCCLYWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O/c1-21(2,16-8-10-17(22)11-9-16)14-24-20(25)12-7-15-13-23-19-6-4-3-5-18(15)19/h3-6,8-11,13,23H,7,12,14H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide?
N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 399.33 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 55716276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).