4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide

C18H19N3O5 — CID 1291680

IUPAC4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O5/c1-25-17-7-6-13(12-16(17)21(23)24)18(22)19-14-4-2-3-5-15(14)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeySFJJYELEPFGWSA-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.69
Rot. Bonds5

About 4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide

4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide (PubChem CID 1291680) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide
PubChem CID1291680
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O5/c1-25-17-7-6-13(12-16(17)21(23)24)18(22)19-14-4-2-3-5-15(14)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeySFJJYELEPFGWSA-UHFFFAOYSA-N
XLogP2.69
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide (CID 1291680) is 4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide is COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide?
The InChIKey is SFJJYELEPFGWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-25-17-7-6-13(12-16(17)21(23)24)18(22)19-14-4-2-3-5-15(14)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22).
What are the key properties of 4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide?
4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide has a molecular weight of 357.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 1291680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).