2-bromo-N-(2,6-dichlorophenyl)propanamide

C9H8BrCl2NO — CID 53414281

IUPAC2-bromo-N-(2,6-dichlorophenyl)propanamide
SMILESCC(Br)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C9H8BrCl2NO/c1-5(10)9(14)13-8-6(11)3-2-4-7(8)12/h2-5H,1H3,(H,13,14)
InChIKeyPPYBKESWTBSSEV-UHFFFAOYSA-N
MW296.98 g/mol
LogP3.72
Rot. Bonds2

About 2-bromo-N-(2,6-dichlorophenyl)propanamide

2-bromo-N-(2,6-dichlorophenyl)propanamide (PubChem CID 53414281) has the molecular formula C9H8BrCl2NO and a molecular weight of 296.98 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dichlorophenyl)propanamide
PubChem CID53414281
Molecular FormulaC9H8BrCl2NO
Molecular Weight296.98 g/mol
Exact Mass294.92
IUPAC Name2-bromo-N-(2,6-dichlorophenyl)propanamide
SMILESCC(Br)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C9H8BrCl2NO/c1-5(10)9(14)13-8-6(11)3-2-4-7(8)12/h2-5H,1H3,(H,13,14)
InChIKeyPPYBKESWTBSSEV-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.98
LogP ≤ 53.72
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

(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea
CID 4674154
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
(2R)-N-(2,6-dichlorophenyl)-2-(3-methylphenoxy)propanamide
CID 41176982
(2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 9180357
N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 78656452
3-(2-chloro-6-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114899076
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 2-bromo-N-(2,6-dichlorophenyl)propanamide (CID 53414281) is 2-bromo-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 2-bromo-N-(2,6-dichlorophenyl)propanamide is CC(Br)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-bromo-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is PPYBKESWTBSSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2NO/c1-5(10)9(14)13-8-6(11)3-2-4-7(8)12/h2-5H,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(2,6-dichlorophenyl)propanamide?
2-bromo-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 296.98 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 53414281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).