2-(2-bromo-5-chlorophenyl)-2-oxoacetamide

C8H5BrClNO2 — CID 139220453

IUPAC2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C8H5BrClNO2/c9-6-2-1-4(10)3-5(6)7(12)8(11)13/h1-3H,(H2,11,13)
InChIKeyBEAPWCCVUNGYER-UHFFFAOYSA-N
MW262.49 g/mol
LogP1.77
Rot. Bonds2

About 2-(2-bromo-5-chlorophenyl)-2-oxoacetamide

2-(2-bromo-5-chlorophenyl)-2-oxoacetamide (PubChem CID 139220453) has the molecular formula C8H5BrClNO2 and a molecular weight of 262.49 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
PubChem CID139220453
Molecular FormulaC8H5BrClNO2
Molecular Weight262.49 g/mol
Exact Mass260.92
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C8H5BrClNO2/c9-6-2-1-4(10)3-5(6)7(12)8(11)13/h1-3H,(H2,11,13)
InChIKeyBEAPWCCVUNGYER-UHFFFAOYSA-N
XLogP1.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 51.77
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-(2,5-dichlorophenyl)-2-oxoacetamide
CID 139220452
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
tert-butyl 2-bromo-5-chlorobenzoate
CID 59447603
(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 106892109
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
(2-bromo-5-chlorophenyl) carbamate
CID 174508201
4-(2-bromo-5-chlorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79415115
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557
1-(2-bromo-5-chlorophenyl)pentan-1-one
CID 83988325
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312
1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114026774

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-oxoacetamide?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-oxoacetamide (CID 139220453) is 2-(2-bromo-5-chlorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-oxoacetamide is NC(=O)C(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-oxoacetamide?
The InChIKey is BEAPWCCVUNGYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO2/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-bromo-5-chlorophenyl)-2-oxoacetamide?
2-(2-bromo-5-chlorophenyl)-2-oxoacetamide has a molecular weight of 262.49 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-oxoacetamide is sourced from PubChem (CID 139220453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).