4-(4-methoxyanilino)-3-nitrobenzamide

C14H13N3O4 — CID 4883496

IUPAC4-(4-methoxyanilino)-3-nitrobenzamide
SMILESCOc1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O4/c1-21-11-5-3-10(4-6-11)16-12-7-2-9(14(15)18)8-13(12)17(19)20/h2-8,16H,1H3,(H2,15,18)
InChIKeyLJIVEAWXBAOREJ-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.45
Rot. Bonds5

About 4-(4-methoxyanilino)-3-nitrobenzamide

4-(4-methoxyanilino)-3-nitrobenzamide (PubChem CID 4883496) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(4-methoxyanilino)-3-nitrobenzamide
PubChem CID4883496
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-(4-methoxyanilino)-3-nitrobenzamide
SMILESCOc1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O4/c1-21-11-5-3-10(4-6-11)16-12-7-2-9(14(15)18)8-13(12)17(19)20/h2-8,16H,1H3,(H2,15,18)
InChIKeyLJIVEAWXBAOREJ-UHFFFAOYSA-N
XLogP2.45
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.45
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'}

Analyze 4-(4-methoxyanilino)-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-3-nitrobenzamide?
The IUPAC name of 4-(4-methoxyanilino)-3-nitrobenzamide (CID 4883496) is 4-(4-methoxyanilino)-3-nitrobenzamide.
What is the SMILES notation for 4-(4-methoxyanilino)-3-nitrobenzamide?
The canonical SMILES for 4-(4-methoxyanilino)-3-nitrobenzamide is COc1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-methoxyanilino)-3-nitrobenzamide?
The InChIKey is LJIVEAWXBAOREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-21-11-5-3-10(4-6-11)16-12-7-2-9(14(15)18)8-13(12)17(19)20/h2-8,16H,1H3,(H2,15,18).
What are the key properties of 4-(4-methoxyanilino)-3-nitrobenzamide?
4-(4-methoxyanilino)-3-nitrobenzamide has a molecular weight of 287.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-3-nitrobenzamide is sourced from PubChem (CID 4883496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).