N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide

C21H16N2O2 — CID 86183013

IUPACN-(N-benzoyl-C-phenylcarbonimidoyl)benzamide
SMILESO=C(/N=C(/NC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O2/c24-20(17-12-6-2-7-13-17)22-19(16-10-4-1-5-11-16)23-21(25)18-14-8-3-9-15-18/h1-15H,(H,22,23,24,25)
InChIKeyXLQPUIULKVYWNV-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.70
Rot. Bonds3

About N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide

N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide (PubChem CID 86183013) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide.

Molecular Properties

Compound NameN-(N-benzoyl-C-phenylcarbonimidoyl)benzamide
PubChem CID86183013
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC NameN-(N-benzoyl-C-phenylcarbonimidoyl)benzamide
SMILESO=C(/N=C(/NC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O2/c24-20(17-12-6-2-7-13-17)22-19(16-10-4-1-5-11-16)23-21(25)18-14-8-3-9-15-18/h1-15H,(H,22,23,24,25)
InChIKeyXLQPUIULKVYWNV-UHFFFAOYSA-N
XLogP3.70
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide?
The IUPAC name of N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide (CID 86183013) is N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide.
What is the SMILES notation for N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide?
The canonical SMILES for N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide is O=C(/N=C(/NC(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide?
The InChIKey is XLQPUIULKVYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-20(17-12-6-2-7-13-17)22-19(16-10-4-1-5-11-16)23-21(25)18-14-8-3-9-15-18/h1-15H,(H,22,23,24,25).
What are the key properties of N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide?
N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide has a molecular weight of 328.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-benzoyl-C-phenylcarbonimidoyl)benzamide is sourced from PubChem (CID 86183013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).