2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide

C19H14N4O4 — CID 1268376

IUPAC2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N4O4/c24-18(13-8-10-14(11-9-13)23(26)27)21-16-6-2-1-5-15(16)19(25)22-17-7-3-4-12-20-17/h1-12H,(H,21,24)(H,20,22,25)
InChIKeyUABSNDLFCDXFRX-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.49
Rot. Bonds5

About 2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide

2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide (PubChem CID 1268376) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide
PubChem CID1268376
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N4O4/c24-18(13-8-10-14(11-9-13)23(26)27)21-16-6-2-1-5-15(16)19(25)22-17-7-3-4-12-20-17/h1-12H,(H,21,24)(H,20,22,25)
InChIKeyUABSNDLFCDXFRX-UHFFFAOYSA-N
XLogP3.49
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.49
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 2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide (CID 1268376) is 2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide is O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide?
The InChIKey is UABSNDLFCDXFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-18(13-8-10-14(11-9-13)23(26)27)21-16-6-2-1-5-15(16)19(25)22-17-7-3-4-12-20-17/h1-12H,(H,21,24)(H,20,22,25).
What are the key properties of 2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide?
2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide has a molecular weight of 362.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrobenzoyl)amino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 1268376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).