N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide

C15H10BrN3O7 — CID 34743716

IUPACN-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
SMILESO=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C15H10BrN3O7/c16-12-6-11(19(24)25)1-3-13(12)17-15(21)8-26-14-4-2-10(18(22)23)5-9(14)7-20/h1-7H,8H2,(H,17,21)
InChIKeyMUWAYANZQXZDTA-UHFFFAOYSA-N
MW424.16 g/mol
LogP3.10
Rot. Bonds7

About N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide

N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide (PubChem CID 34743716) has the molecular formula C15H10BrN3O7 and a molecular weight of 424.16 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
PubChem CID34743716
Molecular FormulaC15H10BrN3O7
Molecular Weight424.16 g/mol
Exact Mass422.97
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
SMILESO=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C15H10BrN3O7/c16-12-6-11(19(24)25)1-3-13(12)17-15(21)8-26-14-4-2-10(18(22)23)5-9(14)7-20/h1-7H,8H2,(H,17,21)
InChIKeyMUWAYANZQXZDTA-UHFFFAOYSA-N
XLogP3.10
TPSA141.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34744103
2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7820278
N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
CID 19202464
N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743749
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
CID 55733652
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19173082
N-(2-bromo-4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791139
4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide
CID 27972767
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 23790997
N-(2-bromo-4-nitrophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655824
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-bromo-4-nitrophenoxy)acetamide
CID 135643548

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide (CID 34743716) is N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide is O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
The InChIKey is MUWAYANZQXZDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O7/c16-12-6-11(19(24)25)1-3-13(12)17-15(21)8-26-14-4-2-10(18(22)23)5-9(14)7-20/h1-7H,8H2,(H,17,21).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide has a molecular weight of 424.16 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 34743716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).