2-bromo-N-(3-bromo-4-iodophenyl)propanamide

C9H8Br2INO — CID 130499859

IUPAC2-bromo-N-(3-bromo-4-iodophenyl)propanamide
SMILESCC(Br)C(=O)Nc1ccc(I)c(Br)c1
InChIInChI=1S/C9H8Br2INO/c1-5(10)9(14)13-6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14)
InChIKeyCOCDBYCPWLJAMF-UHFFFAOYSA-N
MW432.88 g/mol
LogP3.78
Rot. Bonds2

About 2-bromo-N-(3-bromo-4-iodophenyl)propanamide

2-bromo-N-(3-bromo-4-iodophenyl)propanamide (PubChem CID 130499859) has the molecular formula C9H8Br2INO and a molecular weight of 432.88 g/mol. Its IUPAC name is 2-bromo-N-(3-bromo-4-iodophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromo-4-iodophenyl)propanamide
PubChem CID130499859
Molecular FormulaC9H8Br2INO
Molecular Weight432.88 g/mol
Exact Mass430.80
IUPAC Name2-bromo-N-(3-bromo-4-iodophenyl)propanamide
SMILESCC(Br)C(=O)Nc1ccc(I)c(Br)c1
InChIInChI=1S/C9H8Br2INO/c1-5(10)9(14)13-6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14)
InChIKeyCOCDBYCPWLJAMF-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide
CID 130163220
2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491
N-(3-bromo-4-iodophenyl)-2-carbamothioylbutanamide
CID 114262117
methyl 2-(3-bromo-4-iodoanilino)-2-oxoacetate
CID 130499995
2-bromo-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 107903873
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
2-bromo-N-[4-(carbamoylamino)phenyl]propanamide
CID 107903880
N-(3-bromo-4-iodophenyl)-3,5-dichlorobenzamide
CID 114262137
(2S)-1-(3-bromo-4-iodoanilino)propan-2-ol
CID 130499916
N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344575
2-(3-bromo-4-iodoanilino)-N-butan-2-ylacetamide
CID 113230608

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromo-4-iodophenyl)propanamide?
The IUPAC name of 2-bromo-N-(3-bromo-4-iodophenyl)propanamide (CID 130499859) is 2-bromo-N-(3-bromo-4-iodophenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(3-bromo-4-iodophenyl)propanamide?
The canonical SMILES for 2-bromo-N-(3-bromo-4-iodophenyl)propanamide is CC(Br)C(=O)Nc1ccc(I)c(Br)c1.
What is the InChIKey of 2-bromo-N-(3-bromo-4-iodophenyl)propanamide?
The InChIKey is COCDBYCPWLJAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2INO/c1-5(10)9(14)13-6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(3-bromo-4-iodophenyl)propanamide?
2-bromo-N-(3-bromo-4-iodophenyl)propanamide has a molecular weight of 432.88 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromo-4-iodophenyl)propanamide is sourced from PubChem (CID 130499859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).