N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide

C20H16N2O4 — CID 7779991

IUPACN-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N2O4/c23-20(21-16-9-6-10-17(13-16)22(24)25)14-26-19-12-5-4-11-18(19)15-7-2-1-3-8-15/h1-13H,14H2,(H,21,23)
InChIKeyVWBPRPKJKYWXGN-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.28
Rot. Bonds6

About N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide

N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide (PubChem CID 7779991) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
PubChem CID7779991
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N2O4/c23-20(21-16-9-6-10-17(13-16)22(24)25)14-26-19-12-5-4-11-18(19)15-7-2-1-3-8-15/h1-13H,14H2,(H,21,23)
InChIKeyVWBPRPKJKYWXGN-UHFFFAOYSA-N
XLogP4.28
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.28
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-(3-nitrophenyl)-2-(2-phenylphenoxy)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

3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 9212015
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
CID 2994198
N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1311598
N-benzyl-2-[2-(3-nitroanilino)-2-oxoethoxy]benzamide
CID 7981684
N-naphthalen-2-yl-2-(2-phenylphenoxy)acetamide
CID 7919445
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7894372
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 7965634
2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide
CID 24533995
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
CID 55865426
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide (CID 7779991) is N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide is O=C(COc1ccccc1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is VWBPRPKJKYWXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-20(21-16-9-6-10-17(13-16)22(24)25)14-26-19-12-5-4-11-18(19)15-7-2-1-3-8-15/h1-13H,14H2,(H,21,23).
What are the key properties of N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide?
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 348.36 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 7779991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).