N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide

C14H10Cl2N2O4 — CID 2832007

IUPACN-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-1-4-11(5-2-9)22-8-14(19)17-13-6-3-10(18(20)21)7-12(13)16/h1-7H,8H2,(H,17,19)
InChIKeyQTRPMNYWDTXBCK-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.92
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide

N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 2832007) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
PubChem CID2832007
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-1-4-11(5-2-9)22-8-14(19)17-13-6-3-10(18(20)21)7-12(13)16/h1-7H,8H2,(H,17,19)
InChIKeyQTRPMNYWDTXBCK-UHFFFAOYSA-N
XLogP3.92
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide
CID 23770306
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 4-chlorobenzoate
CID 7797067
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844670
N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34744103
N-(2,4-dichlorophenyl)-4-[2-[[2-(4-nitrophenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
CID 4509200
N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
CID 108795459
2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 1338216
2-(4-chlorophenoxy)-N-[(2-methyl-4-nitrophenyl)carbamothioyl]acetamide
CID 4632526
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589080
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2908402

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide (CID 2832007) is N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is QTRPMNYWDTXBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-9-1-4-11(5-2-9)22-8-14(19)17-13-6-3-10(18(20)21)7-12(13)16/h1-7H,8H2,(H,17,19).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 341.15 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 2832007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).