2-bromo-3-(4-bromonaphthalen-1-yl)propanamide

C13H11Br2NO — CID 104513098

IUPAC2-bromo-3-(4-bromonaphthalen-1-yl)propanamide
SMILESNC(=O)C(Br)Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C13H11Br2NO/c14-11-6-5-8(7-12(15)13(16)17)9-3-1-2-4-10(9)11/h1-6,12H,7H2,(H2,16,17)
InChIKeyLYFSSPWETNGWBU-UHFFFAOYSA-N
MW357.05 g/mol
LogP3.39
Rot. Bonds3

About 2-bromo-3-(4-bromonaphthalen-1-yl)propanamide

2-bromo-3-(4-bromonaphthalen-1-yl)propanamide (PubChem CID 104513098) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 2-bromo-3-(4-bromonaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(4-bromonaphthalen-1-yl)propanamide
PubChem CID104513098
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name2-bromo-3-(4-bromonaphthalen-1-yl)propanamide
SMILESNC(=O)C(Br)Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C13H11Br2NO/c14-11-6-5-8(7-12(15)13(16)17)9-3-1-2-4-10(9)11/h1-6,12H,7H2,(H2,16,17)
InChIKeyLYFSSPWETNGWBU-UHFFFAOYSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene
CID 59060546
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020
2-bromo-3-(2-cyanophenyl)propanamide
CID 104513026
1,4-dibromonaphthalene
CID 162208061
2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951
2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide
CID 107608482
N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine
CID 171127319
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
CID 104513002
2-bromo-3-(2-chloro-4-methylphenyl)propanamide
CID 104512971

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-bromonaphthalen-1-yl)propanamide?
The IUPAC name of 2-bromo-3-(4-bromonaphthalen-1-yl)propanamide (CID 104513098) is 2-bromo-3-(4-bromonaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-bromo-3-(4-bromonaphthalen-1-yl)propanamide?
The canonical SMILES for 2-bromo-3-(4-bromonaphthalen-1-yl)propanamide is NC(=O)C(Br)Cc1ccc(Br)c2ccccc12.
What is the InChIKey of 2-bromo-3-(4-bromonaphthalen-1-yl)propanamide?
The InChIKey is LYFSSPWETNGWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c14-11-6-5-8(7-12(15)13(16)17)9-3-1-2-4-10(9)11/h1-6,12H,7H2,(H2,16,17).
What are the key properties of 2-bromo-3-(4-bromonaphthalen-1-yl)propanamide?
2-bromo-3-(4-bromonaphthalen-1-yl)propanamide has a molecular weight of 357.05 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-bromonaphthalen-1-yl)propanamide is sourced from PubChem (CID 104513098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).