2-amino-5-nitro-N-phenylbenzamide

C13H11N3O3 — CID 520479

IUPAC2-amino-5-nitro-N-phenylbenzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1
InChIInChI=1S/C13H11N3O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,14H2,(H,15,17)
InChIKeyINKGKPCLQCFQKB-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.43
Rot. Bonds3

About 2-amino-5-nitro-N-phenylbenzamide

2-amino-5-nitro-N-phenylbenzamide (PubChem CID 520479) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-5-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-phenylbenzamide
PubChem CID520479
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-amino-5-nitro-N-phenylbenzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1
InChIInChI=1S/C13H11N3O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,14H2,(H,15,17)
InChIKeyINKGKPCLQCFQKB-UHFFFAOYSA-N
XLogP2.43
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 2-amino-5-nitro-N-phenylbenzamide?
The IUPAC name of 2-amino-5-nitro-N-phenylbenzamide (CID 520479) is 2-amino-5-nitro-N-phenylbenzamide.
What is the SMILES notation for 2-amino-5-nitro-N-phenylbenzamide?
The canonical SMILES for 2-amino-5-nitro-N-phenylbenzamide is Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-5-nitro-N-phenylbenzamide?
The InChIKey is INKGKPCLQCFQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,14H2,(H,15,17).
What are the key properties of 2-amino-5-nitro-N-phenylbenzamide?
2-amino-5-nitro-N-phenylbenzamide has a molecular weight of 257.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-phenylbenzamide is sourced from PubChem (CID 520479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).