N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide

C21H17BrN2O — CID 146022047

IUPACN-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C21H17BrN2O/c22-19-6-3-5-16-14-17(8-9-18(16)19)23-21(25)11-13-24-12-10-15-4-1-2-7-20(15)24/h1-10,12,14H,11,13H2,(H,23,25)
InChIKeyDKKZIUABZUTROX-UHFFFAOYSA-N
MW393.28 g/mol
LogP5.59
Rot. Bonds4

About N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide

N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide (PubChem CID 146022047) has the molecular formula C21H17BrN2O and a molecular weight of 393.28 g/mol. Its IUPAC name is N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide
PubChem CID146022047
Molecular FormulaC21H17BrN2O
Molecular Weight393.28 g/mol
Exact Mass392.05
IUPAC NameN-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccc2c(Br)cccc2c1
InChIInChI=1S/C21H17BrN2O/c22-19-6-3-5-16-14-17(8-9-18(16)19)23-21(25)11-13-24-12-10-15-4-1-2-7-20(15)24/h1-10,12,14H,11,13H2,(H,23,25)
InChIKeyDKKZIUABZUTROX-UHFFFAOYSA-N
XLogP5.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
3-indol-1-yl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257089
N-(5-bromonaphthalen-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 146022046
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939
N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
CID 4058006
N-(4-imidazol-1-ylphenyl)-3-indol-1-ylpropanamide
CID 37193450
N-(5-bromonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide
CID 146022091
N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide
CID 84554858
N-(2,4-difluorophenyl)-3-indol-1-ylpropanamide
CID 9209396
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide
CID 55950802
3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 27702119
N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide
CID 55577883

Frequently Asked Questions

What is the IUPAC name of N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide?
The IUPAC name of N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide (CID 146022047) is N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide.
What is the SMILES notation for N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide?
The canonical SMILES for N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide is O=C(CCn1ccc2ccccc21)Nc1ccc2c(Br)cccc2c1.
What is the InChIKey of N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide?
The InChIKey is DKKZIUABZUTROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O/c22-19-6-3-5-16-14-17(8-9-18(16)19)23-21(25)11-13-24-12-10-15-4-1-2-7-20(15)24/h1-10,12,14H,11,13H2,(H,23,25).
What are the key properties of N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide?
N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide has a molecular weight of 393.28 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide is sourced from PubChem (CID 146022047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).