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

C8H6BrClINO — CID 107624932

IUPAC2-bromo-N-(4-chloro-2-iodophenyl)acetamide
SMILESO=C(CBr)Nc1ccc(Cl)cc1I
InChIInChI=1S/C8H6BrClINO/c9-4-8(13)12-7-2-1-5(10)3-6(7)11/h1-3H,4H2,(H,12,13)
InChIKeyPUNMGNMVFWIUJG-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.28
Rot. Bonds2

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

2-bromo-N-(4-chloro-2-iodophenyl)acetamide (PubChem CID 107624932) has the molecular formula C8H6BrClINO and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2-iodophenyl)acetamide
PubChem CID107624932
Molecular FormulaC8H6BrClINO
Molecular Weight374.40 g/mol
Exact Mass372.84
IUPAC Name2-bromo-N-(4-chloro-2-iodophenyl)acetamide
SMILESO=C(CBr)Nc1ccc(Cl)cc1I
InChIInChI=1S/C8H6BrClINO/c9-4-8(13)12-7-2-1-5(10)3-6(7)11/h1-3H,4H2,(H,12,13)
InChIKeyPUNMGNMVFWIUJG-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.28
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

5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
CID 104573932
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
CID 103766867
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636900
N-(4-chloro-2-iodophenyl)-2-(2,4-difluorophenyl)acetamide
CID 103766816
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
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)propanamide
CID 107906024
2-bromo-N-(4-chloro-2-iodophenyl)butanamide
CID 107624936

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2-iodophenyl)acetamide?
The IUPAC name of 2-bromo-N-(4-chloro-2-iodophenyl)acetamide (CID 107624932) is 2-bromo-N-(4-chloro-2-iodophenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2-iodophenyl)acetamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2-iodophenyl)acetamide is O=C(CBr)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-bromo-N-(4-chloro-2-iodophenyl)acetamide?
The InChIKey is PUNMGNMVFWIUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClINO/c9-4-8(13)12-7-2-1-5(10)3-6(7)11/h1-3H,4H2,(H,12,13).
What are the key properties of 2-bromo-N-(4-chloro-2-iodophenyl)acetamide?
2-bromo-N-(4-chloro-2-iodophenyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.28, 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)acetamide is sourced from PubChem (CID 107624932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).