N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide

C14H10Cl2N2O4 — CID 2632332

IUPACN-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-1-6-12(16)13(7-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyBZTNCIFVVXLAGE-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.92
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide

N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 2632332) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID2632332
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC NameN-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-1-6-12(16)13(7-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyBZTNCIFVVXLAGE-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'}

Analyze N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)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

N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 18084207
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide
CID 1229718
1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone
CID 60625571
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770646
2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 8502071
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-5-nitrophenyl)acetamide
CID 17310210
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705146

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide (CID 2632332) is N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is BZTNCIFVVXLAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-9-1-6-12(16)13(7-9)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide?
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)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-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 2632332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).