2-(2-chloro-5-iodophenyl)-2-oxoacetamide

C8H5ClINO2 — CID 139220449

IUPAC2-(2-chloro-5-iodophenyl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C8H5ClINO2/c9-6-2-1-4(10)3-5(6)7(12)8(11)13/h1-3H,(H2,11,13)
InChIKeyINLNILZPJPVCCA-UHFFFAOYSA-N
MW309.49 g/mol
LogP1.61
Rot. Bonds2

About 2-(2-chloro-5-iodophenyl)-2-oxoacetamide

2-(2-chloro-5-iodophenyl)-2-oxoacetamide (PubChem CID 139220449) has the molecular formula C8H5ClINO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 2-(2-chloro-5-iodophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-chloro-5-iodophenyl)-2-oxoacetamide
PubChem CID139220449
Molecular FormulaC8H5ClINO2
Molecular Weight309.49 g/mol
Exact Mass308.91
IUPAC Name2-(2-chloro-5-iodophenyl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C8H5ClINO2/c9-6-2-1-4(10)3-5(6)7(12)8(11)13/h1-3H,(H2,11,13)
InChIKeyINLNILZPJPVCCA-UHFFFAOYSA-N
XLogP1.61
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dichlorophenyl)-2-oxoacetamide
CID 139220452
1-(2-chloro-5-iodophenyl)butane-1,3-dione
CID 20663973
N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
CID 1305548
2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
CID 139220453
2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide
CID 3939031
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1297056
2-amino-5-iodobenzoate
CID 6919461
(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
CID 130498897
N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
CID 3480421
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018
2-chloro-5-hydroxybenzamide
CID 57422942

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-iodophenyl)-2-oxoacetamide?
The IUPAC name of 2-(2-chloro-5-iodophenyl)-2-oxoacetamide (CID 139220449) is 2-(2-chloro-5-iodophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2-chloro-5-iodophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2-chloro-5-iodophenyl)-2-oxoacetamide is NC(=O)C(=O)c1cc(I)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-iodophenyl)-2-oxoacetamide?
The InChIKey is INLNILZPJPVCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClINO2/c9-6-2-1-4(10)3-5(6)7(12)8(11)13/h1-3H,(H2,11,13).
What are the key properties of 2-(2-chloro-5-iodophenyl)-2-oxoacetamide?
2-(2-chloro-5-iodophenyl)-2-oxoacetamide has a molecular weight of 309.49 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-iodophenyl)-2-oxoacetamide is sourced from PubChem (CID 139220449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).