2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide

C16H13BrN2O5 — CID 24569426

IUPAC2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCN(C(=O)COc1ccc(Br)cc1C=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13BrN2O5/c1-18(13-3-5-14(6-4-13)19(22)23)16(21)10-24-15-7-2-12(17)8-11(15)9-20/h2-9H,10H2,1H3
InChIKeyGLOUQQANTINRRT-UHFFFAOYSA-N
MW393.19 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide

2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide (PubChem CID 24569426) has the molecular formula C16H13BrN2O5 and a molecular weight of 393.19 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide
PubChem CID24569426
Molecular FormulaC16H13BrN2O5
Molecular Weight393.19 g/mol
Exact Mass392.00
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCN(C(=O)COc1ccc(Br)cc1C=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13BrN2O5/c1-18(13-3-5-14(6-4-13)19(22)23)16(21)10-24-15-7-2-12(17)8-11(15)9-20/h2-9H,10H2,1H3
InChIKeyGLOUQQANTINRRT-UHFFFAOYSA-N
XLogP3.21
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(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

2-(4-bromo-2-formylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 28834277
2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7820278
ethyl 2-(4-bromo-2-formylphenoxy)acetate
CID 880259
N-(cyanomethyl)-2-(2-formyl-4-nitrophenoxy)-N-phenylacetamide
CID 38925953
N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide
CID 107283407
2-[(5-bromo-2-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8808860
ethyl 3-(4-bromo-2-formylphenoxy)propanoate
CID 91656144
N-benzyl-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)acetamide
CID 8808868
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-methyl-N-(4-nitrophenyl)acetamide
CID 42883513
ethyl 4-[2-(N-methyl-4-nitroanilino)-2-oxoethoxy]benzoate
CID 42156725
2-cyclopentyloxy-N-methyl-N-(4-nitrophenyl)acetamide
CID 75415358
methyl 3-(2-formyl-4-nitrophenoxy)propanoate
CID 63950739

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide (CID 24569426) is 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide is CN(C(=O)COc1ccc(Br)cc1C=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide?
The InChIKey is GLOUQQANTINRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O5/c1-18(13-3-5-14(6-4-13)19(22)23)16(21)10-24-15-7-2-12(17)8-11(15)9-20/h2-9H,10H2,1H3.
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide?
2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide has a molecular weight of 393.19 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-methyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 24569426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).