3-bromo-N-(3,5-dichlorophenyl)propanamide

C9H8BrCl2NO — CID 112698581

IUPAC3-bromo-N-(3,5-dichlorophenyl)propanamide
SMILESO=C(CCBr)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8BrCl2NO/c10-2-1-9(14)13-8-4-6(11)3-7(12)5-8/h3-5H,1-2H2,(H,13,14)
InChIKeyPTRHMBCCZDOOBE-UHFFFAOYSA-N
MW296.98 g/mol
LogP3.72
Rot. Bonds3

About 3-bromo-N-(3,5-dichlorophenyl)propanamide

3-bromo-N-(3,5-dichlorophenyl)propanamide (PubChem CID 112698581) has the molecular formula C9H8BrCl2NO and a molecular weight of 296.98 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dichlorophenyl)propanamide
PubChem CID112698581
Molecular FormulaC9H8BrCl2NO
Molecular Weight296.98 g/mol
Exact Mass294.92
IUPAC Name3-bromo-N-(3,5-dichlorophenyl)propanamide
SMILESO=C(CCBr)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8BrCl2NO/c10-2-1-9(14)13-8-4-6(11)3-7(12)5-8/h3-5H,1-2H2,(H,13,14)
InChIKeyPTRHMBCCZDOOBE-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

N-(3,5-dichlorophenyl)-4-oxopentanamide
CID 11839705
3-bromo-N-(3,5-dibromophenyl)propanamide
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N-(3,5-dichlorophenyl)-5-hydroxypentanamide
CID 79019042
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954855
4-bromo-N-(3,4,5-trichlorophenyl)butanamide
CID 71446010
3-bromo-N-(4-chloro-3-methylphenyl)propanamide
CID 82110631
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of 3-bromo-N-(3,5-dichlorophenyl)propanamide (CID 112698581) is 3-bromo-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-bromo-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-bromo-N-(3,5-dichlorophenyl)propanamide is O=C(CCBr)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-bromo-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is PTRHMBCCZDOOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2NO/c10-2-1-9(14)13-8-4-6(11)3-7(12)5-8/h3-5H,1-2H2,(H,13,14).
What are the key properties of 3-bromo-N-(3,5-dichlorophenyl)propanamide?
3-bromo-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 296.98 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 112698581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).