2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

C17H17BrN2O5 — CID 7949272

IUPAC2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(C)cc2Br)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17BrN2O5/c1-10-4-5-15(12(18)6-10)25-9-17(21)19-13-8-16(24-3)14(20(22)23)7-11(13)2/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyRKWYOOHDOMZABS-UHFFFAOYSA-N
MW409.24 g/mol
LogP4.00
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide (PubChem CID 7949272) has the molecular formula C17H17BrN2O5 and a molecular weight of 409.24 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
PubChem CID7949272
Molecular FormulaC17H17BrN2O5
Molecular Weight409.24 g/mol
Exact Mass408.03
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(C)cc2Br)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17BrN2O5/c1-10-4-5-15(12(18)6-10)25-9-17(21)19-13-8-16(24-3)14(20(22)23)7-11(13)2/h4-8H,9H2,1-3H3,(H,19,21)
InChIKeyRKWYOOHDOMZABS-UHFFFAOYSA-N
XLogP4.00
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
2-(2-bromophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 7466857
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944
2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9100984
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 4553049
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522917
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 4005338
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-ethoxyacetate
CID 4874977
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024965
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 8526792

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide (CID 7949272) is 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide is COc1cc(NC(=O)COc2ccc(C)cc2Br)c(C)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The InChIKey is RKWYOOHDOMZABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O5/c1-10-4-5-15(12(18)6-10)25-9-17(21)19-13-8-16(24-3)14(20(22)23)7-11(13)2/h4-8H,9H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide has a molecular weight of 409.24 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 7949272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).