3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide

C15H13N3O5 — CID 10567323

IUPAC3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide
SMILESCOc1cccc(C(N)=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O5/c1-23-12-4-2-3-11(14(16)19)13(12)17-15(20)9-5-7-10(8-6-9)18(21)22/h2-8H,1H3,(H2,16,19)(H,17,20)
InChIKeyKOWYLYFFSLHFQR-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.95
Rot. Bonds5

About 3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide

3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 10567323) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound Name3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide
PubChem CID10567323
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide
SMILESCOc1cccc(C(N)=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O5/c1-23-12-4-2-3-11(14(16)19)13(12)17-15(20)9-5-7-10(8-6-9)18(21)22/h2-8H,1H3,(H2,16,19)(H,17,20)
InChIKeyKOWYLYFFSLHFQR-UHFFFAOYSA-N
XLogP1.95
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of 3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide (CID 10567323) is 3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for 3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for 3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide is COc1cccc(C(N)=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is KOWYLYFFSLHFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-23-12-4-2-3-11(14(16)19)13(12)17-15(20)9-5-7-10(8-6-9)18(21)22/h2-8H,1H3,(H2,16,19)(H,17,20).
What are the key properties of 3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide?
3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 315.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 10567323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).