N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide

C15H12Cl2N2O3 — CID 9218215

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-12-4-3-11(14(17)8-12)9-18-15(20)7-10-1-5-13(6-2-10)19(21)22/h1-6,8H,7,9H2,(H,18,20)
InChIKeyZXLWBCSHWHEXDH-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.76
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide

N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide (PubChem CID 9218215) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
PubChem CID9218215
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-12-4-3-11(14(17)8-12)9-18-15(20)7-10-1-5-13(6-2-10)19(21)22/h1-6,8H,7,9H2,(H,18,20)
InChIKeyZXLWBCSHWHEXDH-UHFFFAOYSA-N
XLogP3.76
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-[(2,4-dichlorophenyl)methylcarbamothioyl]-3,5-dinitrobenzamide
CID 46762701
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[(2,4-dichlorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 1260783
N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9246410
2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771738
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 166226019
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide
CID 9258857
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
N-[2-[(2,4-dichlorophenyl)methylcarbamothioylamino]ethyl]-2-(4-hydroxyphenyl)acetamide
CID 2725843
4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate
CID 7372821

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide (CID 9218215) is N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is ZXLWBCSHWHEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-12-4-3-11(14(17)8-12)9-18-15(20)7-10-1-5-13(6-2-10)19(21)22/h1-6,8H,7,9H2,(H,18,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 339.18 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9218215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).