2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide

C16H16N4O6 — CID 26415999

IUPAC2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C16H16N4O6/c1-10-12(4-3-5-14(10)20(24)25)18-16(21)9-17-13-8-11(19(22)23)6-7-15(13)26-2/h3-8,17H,9H2,1-2H3,(H,18,21)
InChIKeyYDJRORFTRIYKHE-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.87
Rot. Bonds7

About 2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide

2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 26415999) has the molecular formula C16H16N4O6 and a molecular weight of 360.33 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID26415999
Molecular FormulaC16H16N4O6
Molecular Weight360.33 g/mol
Exact Mass360.11
IUPAC Name2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C16H16N4O6/c1-10-12(4-3-5-14(10)20(24)25)18-16(21)9-17-13-8-11(19(22)23)6-7-15(13)26-2/h3-8,17H,9H2,1-2H3,(H,18,21)
InChIKeyYDJRORFTRIYKHE-UHFFFAOYSA-N
XLogP2.87
TPSA136.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26525399
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079826
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
CID 9104576
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396
2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26416516
N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4818734
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7535590

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide (CID 26415999) is 2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is YDJRORFTRIYKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O6/c1-10-12(4-3-5-14(10)20(24)25)18-16(21)9-17-13-8-11(19(22)23)6-7-15(13)26-2/h3-8,17H,9H2,1-2H3,(H,18,21).
What are the key properties of 2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 360.33 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 26415999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).