N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide

C15H10Cl2N2O5 — CID 34744103

IUPACN-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
SMILESO=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O5/c16-10-1-3-13(12(17)6-10)18-15(21)8-24-14-4-2-11(19(22)23)5-9(14)7-20/h1-7H,8H2,(H,18,21)
InChIKeyALCJDWXUZXCJCK-UHFFFAOYSA-N
MW369.16 g/mol
LogP3.73
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide

N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide (PubChem CID 34744103) has the molecular formula C15H10Cl2N2O5 and a molecular weight of 369.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
PubChem CID34744103
Molecular FormulaC15H10Cl2N2O5
Molecular Weight369.16 g/mol
Exact Mass368.00
IUPAC NameN-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
SMILESO=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O5/c16-10-1-3-13(12(17)6-10)18-15(21)8-24-14-4-2-11(19(22)23)5-9(14)7-20/h1-7H,8H2,(H,18,21)
InChIKeyALCJDWXUZXCJCK-UHFFFAOYSA-N
XLogP3.73
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 53.73
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743716
N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743749
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7820278
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135827964
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide
CID 2843072
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide (CID 34744103) is N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide is O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
The InChIKey is ALCJDWXUZXCJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O5/c16-10-1-3-13(12(17)6-10)18-15(21)8-24-14-4-2-11(19(22)23)5-9(14)7-20/h1-7H,8H2,(H,18,21).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide has a molecular weight of 369.16 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 34744103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).