2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide

C20H15N3O4 — CID 1010121

IUPAC2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H15N3O4/c24-19(21-14-8-2-1-3-9-14)15-10-4-6-12-17(15)22-20(25)16-11-5-7-13-18(16)23(26)27/h1-13H,(H,21,24)(H,22,25)
InChIKeyAWRRBNAYBIGQTK-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.10
Rot. Bonds5

About 2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide

2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide (PubChem CID 1010121) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide
PubChem CID1010121
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H15N3O4/c24-19(21-14-8-2-1-3-9-14)15-10-4-6-12-17(15)22-20(25)16-11-5-7-13-18(16)23(26)27/h1-13H,(H,21,24)(H,22,25)
InChIKeyAWRRBNAYBIGQTK-UHFFFAOYSA-N
XLogP4.10
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide?
The IUPAC name of 2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide (CID 1010121) is 2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide?
The canonical SMILES for 2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide?
The InChIKey is AWRRBNAYBIGQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-19(21-14-8-2-1-3-9-14)15-10-4-6-12-17(15)22-20(25)16-11-5-7-13-18(16)23(26)27/h1-13H,(H,21,24)(H,22,25).
What are the key properties of 2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide?
2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide has a molecular weight of 361.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrobenzoyl)amino]-N-phenylbenzamide is sourced from PubChem (CID 1010121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).