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

C10H10BrClINO — CID 107624936

IUPAC2-bromo-N-(4-chloro-2-iodophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H10BrClINO/c1-2-7(11)10(15)14-9-4-3-6(12)5-8(9)13/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyCBODYCGMEZNEMO-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.06
Rot. Bonds3

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

2-bromo-N-(4-chloro-2-iodophenyl)butanamide (PubChem CID 107624936) has the molecular formula C10H10BrClINO and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2-iodophenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2-iodophenyl)butanamide
PubChem CID107624936
Molecular FormulaC10H10BrClINO
Molecular Weight402.46 g/mol
Exact Mass400.87
IUPAC Name2-bromo-N-(4-chloro-2-iodophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H10BrClINO/c1-2-7(11)10(15)14-9-4-3-6(12)5-8(9)13/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyCBODYCGMEZNEMO-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.06
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-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
2-bromo-N-(5-chloro-2-cyanophenyl)butanamide
CID 60723141
2-bromo-N-(2-bromo-4-iodophenyl)butanamide
CID 130498554
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
N-(4-chloro-2-iodophenyl)-2-ethylbenzamide
CID 113268300
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636895
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2-iodophenyl)butanamide?
The IUPAC name of 2-bromo-N-(4-chloro-2-iodophenyl)butanamide (CID 107624936) is 2-bromo-N-(4-chloro-2-iodophenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2-iodophenyl)butanamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2-iodophenyl)butanamide is CCC(Br)C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-bromo-N-(4-chloro-2-iodophenyl)butanamide?
The InChIKey is CBODYCGMEZNEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClINO/c1-2-7(11)10(15)14-9-4-3-6(12)5-8(9)13/h3-5,7H,2H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(4-chloro-2-iodophenyl)butanamide?
2-bromo-N-(4-chloro-2-iodophenyl)butanamide has a molecular weight of 402.46 g/mol, XLogP of 4.06, 3 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)butanamide is sourced from PubChem (CID 107624936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).