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

C15H11BrCl2N2O4 — CID 17095298

IUPAC2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C15H11BrCl2N2O4/c1-8-4-10(20(22)23)2-3-13(8)19-14(21)7-24-15-11(16)5-9(17)6-12(15)18/h2-6H,7H2,1H3,(H,19,21)
InChIKeyBQMYVSMZBXYOGC-UHFFFAOYSA-N
MW434.07 g/mol
LogP4.99
Rot. Bonds5

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

2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide (PubChem CID 17095298) 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-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
PubChem CID17095298
Molecular FormulaC15H11BrCl2N2O4
Molecular Weight434.07 g/mol
Exact Mass431.93
IUPAC Name2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C15H11BrCl2N2O4/c1-8-4-10(20(22)23)2-3-13(8)19-14(21)7-24-15-11(16)5-9(17)6-12(15)18/h2-6H,7H2,1H3,(H,19,21)
InChIKeyBQMYVSMZBXYOGC-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-5-nitrophenyl)acetamide
CID 17095292
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-(2,4-dibromo-6-methylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 4503873
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19202538
N-(2-bromo-4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791139
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide
CID 2843072
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 17095373

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide (CID 17095298) is 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The InChIKey is BQMYVSMZBXYOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O4/c1-8-4-10(20(22)23)2-3-13(8)19-14(21)7-24-15-11(16)5-9(17)6-12(15)18/h2-6H,7H2,1H3,(H,19,21).
What are the key properties of 2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-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-4-nitrophenyl)acetamide is sourced from PubChem (CID 17095298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).