2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide

C12H15BrN2O2 — CID 55246569

IUPAC2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CBr)c1C
InChIInChI=1S/C12H15BrN2O2/c1-8-4-3-5-10(9(8)2)15-12(17)7-14-11(16)6-13/h3-5H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQZGQJKVCNHVCFS-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.75
Rot. Bonds4

About 2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide

2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 55246569) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID55246569
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CBr)c1C
InChIInChI=1S/C12H15BrN2O2/c1-8-4-3-5-10(9(8)2)15-12(17)7-14-11(16)6-13/h3-5H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQZGQJKVCNHVCFS-UHFFFAOYSA-N
XLogP1.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 112996725
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenoxy)acetyl]amino]acetamide
CID 7501086
cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778232
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7858908
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 24681883
(4-bromophenyl)methyl-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 9039937

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide (CID 55246569) is 2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNC(=O)CBr)c1C.
What is the InChIKey of 2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is QZGQJKVCNHVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8-4-3-5-10(9(8)2)15-12(17)7-14-11(16)6-13/h3-5H,6-7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide?
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 299.17 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 55246569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).