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

C9H8Br3NO — CID 164647676

IUPAC3-bromo-N-(3,5-dibromophenyl)propanamide
SMILESO=C(CCBr)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C9H8Br3NO/c10-2-1-9(14)13-8-4-6(11)3-7(12)5-8/h3-5H,1-2H2,(H,13,14)
InChIKeyCMZLIABWXSNYSN-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.94
Rot. Bonds3

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

3-bromo-N-(3,5-dibromophenyl)propanamide (PubChem CID 164647676) has the molecular formula C9H8Br3NO and a molecular weight of 385.88 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dibromophenyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dibromophenyl)propanamide
PubChem CID164647676
Molecular FormulaC9H8Br3NO
Molecular Weight385.88 g/mol
Exact Mass382.82
IUPAC Name3-bromo-N-(3,5-dibromophenyl)propanamide
SMILESO=C(CCBr)Nc1cc(Br)cc(Br)c1
InChIInChI=1S/C9H8Br3NO/c10-2-1-9(14)13-8-4-6(11)3-7(12)5-8/h3-5H,1-2H2,(H,13,14)
InChIKeyCMZLIABWXSNYSN-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.94
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

3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
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3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide
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4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide
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5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 66818039
N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide
CID 104938652
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
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3-bromo-N-(4-chloro-3-methylphenyl)propanamide
CID 82110631
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4-bromo-N-(3,4,5-trichlorophenyl)butanamide
CID 71446010

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dibromophenyl)propanamide?
The IUPAC name of 3-bromo-N-(3,5-dibromophenyl)propanamide (CID 164647676) is 3-bromo-N-(3,5-dibromophenyl)propanamide.
What is the SMILES notation for 3-bromo-N-(3,5-dibromophenyl)propanamide?
The canonical SMILES for 3-bromo-N-(3,5-dibromophenyl)propanamide is O=C(CCBr)Nc1cc(Br)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(3,5-dibromophenyl)propanamide?
The InChIKey is CMZLIABWXSNYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br3NO/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-dibromophenyl)propanamide?
3-bromo-N-(3,5-dibromophenyl)propanamide has a molecular weight of 385.88 g/mol, XLogP of 3.94, 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-dibromophenyl)propanamide is sourced from PubChem (CID 164647676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).