2-bromo-N-(2-bromo-4-iodophenyl)butanamide

C10H10Br2INO — CID 130498554

IUPAC2-bromo-N-(2-bromo-4-iodophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(I)cc1Br
InChIInChI=1S/C10H10Br2INO/c1-2-7(11)10(15)14-9-4-3-6(13)5-8(9)12/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyRINGFGJXMPQZSE-UHFFFAOYSA-N
MW446.91 g/mol
LogP4.17
Rot. Bonds3

About 2-bromo-N-(2-bromo-4-iodophenyl)butanamide

2-bromo-N-(2-bromo-4-iodophenyl)butanamide (PubChem CID 130498554) has the molecular formula C10H10Br2INO and a molecular weight of 446.91 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-4-iodophenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-4-iodophenyl)butanamide
PubChem CID130498554
Molecular FormulaC10H10Br2INO
Molecular Weight446.91 g/mol
Exact Mass444.82
IUPAC Name2-bromo-N-(2-bromo-4-iodophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(I)cc1Br
InChIInChI=1S/C10H10Br2INO/c1-2-7(11)10(15)14-9-4-3-6(13)5-8(9)12/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyRINGFGJXMPQZSE-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 54.17
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

ethyl 3-bromo-4-(2-bromobutanoylamino)benzoate
CID 62855766
(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide
CID 114259905
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
2-bromo-N-(4-chloro-2-iodophenyl)butanamide
CID 107624936
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
2-[(2-bromo-4-iodophenyl)carbamoyl-methylamino]butanoic acid
CID 114260808
N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide
CID 130498541
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
N-(4-amino-2-bromophenyl)-2-methylbutanamide
CID 43549561
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide
CID 103193041
methyl 4-(2-bromobutanoylamino)-3-hydroxybenzoate
CID 108744856

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-4-iodophenyl)butanamide?
The IUPAC name of 2-bromo-N-(2-bromo-4-iodophenyl)butanamide (CID 130498554) is 2-bromo-N-(2-bromo-4-iodophenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-4-iodophenyl)butanamide?
The canonical SMILES for 2-bromo-N-(2-bromo-4-iodophenyl)butanamide is CCC(Br)C(=O)Nc1ccc(I)cc1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-4-iodophenyl)butanamide?
The InChIKey is RINGFGJXMPQZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2INO/c1-2-7(11)10(15)14-9-4-3-6(13)5-8(9)12/h3-5,7H,2H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-bromo-4-iodophenyl)butanamide?
2-bromo-N-(2-bromo-4-iodophenyl)butanamide has a molecular weight of 446.91 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-4-iodophenyl)butanamide is sourced from PubChem (CID 130498554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).