N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide

C15H13N3O6 — CID 2632166

IUPACN-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
SMILESCc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O6/c1-10-13(3-2-4-14(10)18(22)23)16-15(19)9-24-12-7-5-11(6-8-12)17(20)21/h2-8H,9H2,1H3,(H,16,19)
InChIKeyXIIWYSTUXYQDAL-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.83
Rot. Bonds6

About N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide

N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 2632166) has the molecular formula C15H13N3O6 and a molecular weight of 331.28 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID2632166
Molecular FormulaC15H13N3O6
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC NameN-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
SMILESCc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O6/c1-10-13(3-2-4-14(10)18(22)23)16-15(19)9-24-12-7-5-11(6-8-12)17(20)21/h2-8H,9H2,1H3,(H,16,19)
InChIKeyXIIWYSTUXYQDAL-UHFFFAOYSA-N
XLogP2.83
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.83
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'}

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200
4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]benzamide
CID 31732776
N-(2-methyl-3-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 18190903
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 92649068
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 3962831
1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea
CID 24819119
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9393928
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 92649117
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide (CID 2632166) is N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide is Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is XIIWYSTUXYQDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O6/c1-10-13(3-2-4-14(10)18(22)23)16-15(19)9-24-12-7-5-11(6-8-12)17(20)21/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide?
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 331.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 2632166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).