N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide

C15H15N3O4 — CID 9081418

IUPACN-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
SMILESCOc1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4/c1-22-14-8-3-2-7-13(14)17-15(19)10-16-11-5-4-6-12(9-11)18(20)21/h2-9,16H,10H2,1H3,(H,17,19)
InChIKeyLKTZVNXVIQYRMJ-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.65
Rot. Bonds6

About N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide

N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide (PubChem CID 9081418) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
PubChem CID9081418
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
SMILESCOc1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4/c1-22-14-8-3-2-7-13(14)17-15(19)10-16-11-5-4-6-12(9-11)18(20)21/h2-9,16H,10H2,1H3,(H,17,19)
InChIKeyLKTZVNXVIQYRMJ-UHFFFAOYSA-N
XLogP2.65
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 4792980
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
CID 9104576
2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 37231406
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(3-nitroanilino)acetamide
CID 46537107
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
CID 18266904
N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54838041
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7535590

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide (CID 9081418) is N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide is COc1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide?
The InChIKey is LKTZVNXVIQYRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-22-14-8-3-2-7-13(14)17-15(19)10-16-11-5-4-6-12(9-11)18(20)21/h2-9,16H,10H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide?
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide has a molecular weight of 301.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide is sourced from PubChem (CID 9081418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).