2-(2,5-dichlorophenyl)-2-oxoacetamide

C8H5Cl2NO2 — CID 139220452

IUPAC2-(2,5-dichlorophenyl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H5Cl2NO2/c9-4-1-2-6(10)5(3-4)7(12)8(11)13/h1-3H,(H2,11,13)
InChIKeyDRHCJYXFXRGCSK-UHFFFAOYSA-N
MW218.04 g/mol
LogP1.66
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-2-oxoacetamide

2-(2,5-dichlorophenyl)-2-oxoacetamide (PubChem CID 139220452) has the molecular formula C8H5Cl2NO2 and a molecular weight of 218.04 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2-oxoacetamide
PubChem CID139220452
Molecular FormulaC8H5Cl2NO2
Molecular Weight218.04 g/mol
Exact Mass216.97
IUPAC Name2-(2,5-dichlorophenyl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H5Cl2NO2/c9-4-1-2-6(10)5(3-4)7(12)8(11)13/h1-3H,(H2,11,13)
InChIKeyDRHCJYXFXRGCSK-UHFFFAOYSA-N
XLogP1.66
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
CID 139220453
2-(2-chloro-5-iodophenyl)-2-oxoacetamide
CID 139220449
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
5-chloro-2-(2,3,4-trichlorophenyl)benzamide
CID 118834866
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
2-carbamoyl-5-chlorobenzoic acid
CID 57087443
1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one
CID 103452878
N-(1-carbamoylcyclohexyl)-2,5-dichlorobenzamide
CID 78903583
2-acetyl-4-chlorobenzamide
CID 157282795
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
1-(2,5-dichlorophenyl)-3-hydroxyprop-2-en-1-one
CID 23719435

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-2-oxoacetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)-2-oxoacetamide (CID 139220452) is 2-(2,5-dichlorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2-oxoacetamide is NC(=O)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2-oxoacetamide?
The InChIKey is DRHCJYXFXRGCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO2/c9-4-1-2-6(10)5(3-4)7(12)8(11)13/h1-3H,(H2,11,13).
What are the key properties of 2-(2,5-dichlorophenyl)-2-oxoacetamide?
2-(2,5-dichlorophenyl)-2-oxoacetamide has a molecular weight of 218.04 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2-oxoacetamide is sourced from PubChem (CID 139220452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).