2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide

C10H10BrClN4O — CID 150152329

IUPAC2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide
SMILESCc1cc(C)c(NC(=O)C(Cl)N=[N+]=[N-])c(Br)c1
InChIInChI=1S/C10H10BrClN4O/c1-5-3-6(2)8(7(11)4-5)14-10(17)9(12)15-16-13/h3-4,9H,1-2H3,(H,14,17)
InChIKeyFFMSGQXXTUUZNJ-UHFFFAOYSA-N
MW317.57 g/mol
LogP3.88
Rot. Bonds3

About 2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide

2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide (PubChem CID 150152329) has the molecular formula C10H10BrClN4O and a molecular weight of 317.57 g/mol. Its IUPAC name is 2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide.

Molecular Properties

Compound Name2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide
PubChem CID150152329
Molecular FormulaC10H10BrClN4O
Molecular Weight317.57 g/mol
Exact Mass315.97
IUPAC Name2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide
SMILESCc1cc(C)c(NC(=O)C(Cl)N=[N+]=[N-])c(Br)c1
InChIInChI=1S/C10H10BrClN4O/c1-5-3-6(2)8(7(11)4-5)14-10(17)9(12)15-16-13/h3-4,9H,1-2H3,(H,14,17)
InChIKeyFFMSGQXXTUUZNJ-UHFFFAOYSA-N
XLogP3.88
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide?
The IUPAC name of 2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide (CID 150152329) is 2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide.
What is the SMILES notation for 2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide?
The canonical SMILES for 2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide is Cc1cc(C)c(NC(=O)C(Cl)N=[N+]=[N-])c(Br)c1.
What is the InChIKey of 2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide?
The InChIKey is FFMSGQXXTUUZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O/c1-5-3-6(2)8(7(11)4-5)14-10(17)9(12)15-16-13/h3-4,9H,1-2H3,(H,14,17).
What are the key properties of 2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide?
2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide has a molecular weight of 317.57 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(2-bromo-4,6-dimethylphenyl)-2-chloroacetamide is sourced from PubChem (CID 150152329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).