2-bromo-3-(3-bromophenyl)propanamide

C9H9Br2NO — CID 104512986

IUPAC2-bromo-3-(3-bromophenyl)propanamide
SMILESNC(=O)C(Br)Cc1cccc(Br)c1
InChIInChI=1S/C9H9Br2NO/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5H2,(H2,12,13)
InChIKeyGYRNCSOGAYQTJU-UHFFFAOYSA-N
MW306.99 g/mol
LogP2.24
Rot. Bonds3

About 2-bromo-3-(3-bromophenyl)propanamide

2-bromo-3-(3-bromophenyl)propanamide (PubChem CID 104512986) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is 2-bromo-3-(3-bromophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-3-(3-bromophenyl)propanamide
PubChem CID104512986
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name2-bromo-3-(3-bromophenyl)propanamide
SMILESNC(=O)C(Br)Cc1cccc(Br)c1
InChIInChI=1S/C9H9Br2NO/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5H2,(H2,12,13)
InChIKeyGYRNCSOGAYQTJU-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 52.24
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

2-bromo-3-(3-fluorophenyl)propanamide
CID 104512961
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
2-(3-bromophenyl)acetamide
CID 11736027
(2S)-2-(aminomethyl)-3-(3-bromophenyl)propanoic acid
CID 11962264
3-(3-bromophenyl)propanamide;ethane
CID 91218964
3-(3-bromophenyl)propanamide
CID 20823841
2-[(3-bromophenyl)methylsulfanyl]propanamide
CID 47095045
2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide
CID 116850260
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
methyl 2-[(3-bromophenyl)methyl]-3-oxobutanoate
CID 19764144

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3-bromophenyl)propanamide?
The IUPAC name of 2-bromo-3-(3-bromophenyl)propanamide (CID 104512986) is 2-bromo-3-(3-bromophenyl)propanamide.
What is the SMILES notation for 2-bromo-3-(3-bromophenyl)propanamide?
The canonical SMILES for 2-bromo-3-(3-bromophenyl)propanamide is NC(=O)C(Br)Cc1cccc(Br)c1.
What is the InChIKey of 2-bromo-3-(3-bromophenyl)propanamide?
The InChIKey is GYRNCSOGAYQTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5H2,(H2,12,13).
What are the key properties of 2-bromo-3-(3-bromophenyl)propanamide?
2-bromo-3-(3-bromophenyl)propanamide has a molecular weight of 306.99 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(3-bromophenyl)propanamide is sourced from PubChem (CID 104512986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).