2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

C15H11BrCl2N2O4 — CID 17095292

IUPAC2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C15H11BrCl2N2O4/c1-8-2-3-10(20(22)23)6-13(8)19-14(21)7-24-15-11(16)4-9(17)5-12(15)18/h2-6H,7H2,1H3,(H,19,21)
InChIKeyXCRWZKKNRPBMMZ-UHFFFAOYSA-N
MW434.07 g/mol
LogP4.99
Rot. Bonds5

About 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 17095292) has the molecular formula C15H11BrCl2N2O4 and a molecular weight of 434.07 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID17095292
Molecular FormulaC15H11BrCl2N2O4
Molecular Weight434.07 g/mol
Exact Mass431.93
IUPAC Name2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C15H11BrCl2N2O4/c1-8-2-3-10(20(22)23)6-13(8)19-14(21)7-24-15-11(16)4-9(17)5-12(15)18/h2-6H,7H2,1H3,(H,19,21)
InChIKeyXCRWZKKNRPBMMZ-UHFFFAOYSA-N
XLogP4.99
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.07
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 17095298
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 19628023
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 3280750
N-(2-bromo-4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791139
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
2-(2,4-dibromo-6-methylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 4503873
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide (CID 17095292) is 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is XCRWZKKNRPBMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O4/c1-8-2-3-10(20(22)23)6-13(8)19-14(21)7-24-15-11(16)4-9(17)5-12(15)18/h2-6H,7H2,1H3,(H,19,21).
What are the key properties of 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 434.07 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 17095292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).