2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide

C21H18N2O4 — CID 2789918

IUPAC2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide
SMILESCc1ccc(-c2ccc(OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H18N2O4/c1-15-6-8-16(9-7-15)17-10-12-18(13-11-17)27-14-21(24)22-19-4-2-3-5-20(19)23(25)26/h2-13H,14H2,1H3,(H,22,24)
InChIKeyAJPLHSMZISMZRC-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.59
Rot. Bonds6

About 2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide

2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide (PubChem CID 2789918) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide
PubChem CID2789918
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide
SMILESCc1ccc(-c2ccc(OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H18N2O4/c1-15-6-8-16(9-7-15)17-10-12-18(13-11-17)27-14-21(24)22-19-4-2-3-5-20(19)23(25)26/h2-13H,14H2,1H3,(H,22,24)
InChIKeyAJPLHSMZISMZRC-UHFFFAOYSA-N
XLogP4.59
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.59
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-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide
CID 2787302
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510
4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]benzamide
CID 31732776
2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-nitrophenyl)acetamide
CID 4789874
2-[[2-(4-methylphenoxy)acetyl]amino]benzenethiolate
CID 135820587
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
CID 2925103
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
N-(2-methyl-3-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 18190903

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide (CID 2789918) is 2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide is Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide?
The InChIKey is AJPLHSMZISMZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-15-6-8-16(9-7-15)17-10-12-18(13-11-17)27-14-21(24)22-19-4-2-3-5-20(19)23(25)26/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of 2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide?
2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 2789918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).