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

C9H8BrClINO — CID 107906024

IUPAC2-bromo-N-(4-chloro-2-iodophenyl)propanamide
SMILESCC(Br)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C9H8BrClINO/c1-5(10)9(14)13-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H,13,14)
InChIKeyKAEYDUQCIFOKON-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.67
Rot. Bonds2

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

2-bromo-N-(4-chloro-2-iodophenyl)propanamide (PubChem CID 107906024) has the molecular formula C9H8BrClINO and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2-iodophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2-iodophenyl)propanamide
PubChem CID107906024
Molecular FormulaC9H8BrClINO
Molecular Weight388.43 g/mol
Exact Mass386.85
IUPAC Name2-bromo-N-(4-chloro-2-iodophenyl)propanamide
SMILESCC(Br)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C9H8BrClINO/c1-5(10)9(14)13-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H,13,14)
InChIKeyKAEYDUQCIFOKON-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.67
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

2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
2-bromo-N-(4-chloro-2-iodophenyl)butanamide
CID 107624936
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636895
2-bromo-N-(2-chloro-4-iodophenyl)propanamide
CID 107903978
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2-iodophenyl)propanamide?
The IUPAC name of 2-bromo-N-(4-chloro-2-iodophenyl)propanamide (CID 107906024) is 2-bromo-N-(4-chloro-2-iodophenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2-iodophenyl)propanamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2-iodophenyl)propanamide is CC(Br)C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-bromo-N-(4-chloro-2-iodophenyl)propanamide?
The InChIKey is KAEYDUQCIFOKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClINO/c1-5(10)9(14)13-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(4-chloro-2-iodophenyl)propanamide?
2-bromo-N-(4-chloro-2-iodophenyl)propanamide has a molecular weight of 388.43 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chloro-2-iodophenyl)propanamide is sourced from PubChem (CID 107906024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).