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

C14H11N3O6 — CID 4501442

IUPAC2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O6/c18-14(15-10-1-3-11(4-2-10)16(19)20)9-23-13-7-5-12(6-8-13)17(21)22/h1-8H,9H2,(H,15,18)
InChIKeyOPQAQUYMPMCAQI-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.52
Rot. Bonds6

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

2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide (PubChem CID 4501442) has the molecular formula C14H11N3O6 and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
PubChem CID4501442
Molecular FormulaC14H11N3O6
Molecular Weight317.26 g/mol
Exact Mass317.06
IUPAC Name2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O6/c18-14(15-10-1-3-11(4-2-10)16(19)20)9-23-13-7-5-12(6-8-13)17(21)22/h1-8H,9H2,(H,15,18)
InChIKeyOPQAQUYMPMCAQI-UHFFFAOYSA-N
XLogP2.52
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitrophenoxy)-N-(4-nitrophenyl)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-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 674702
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1416689
2-[4-[[2-(4-nitrophenyl)acetyl]amino]phenoxy]acetate
CID 2231936

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide (CID 4501442) is 2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide?
The InChIKey is OPQAQUYMPMCAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O6/c18-14(15-10-1-3-11(4-2-10)16(19)20)9-23-13-7-5-12(6-8-13)17(21)22/h1-8H,9H2,(H,15,18).
What are the key properties of 2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide?
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide has a molecular weight of 317.26 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 4501442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).