(N-benzoyl-C-phenylcarbonimidoyl) benzoate

C21H15NO3 — CID 135051381

IUPAC(N-benzoyl-C-phenylcarbonimidoyl) benzoate
SMILESO=C(/N=C(/OC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15NO3/c23-19(16-10-4-1-5-11-16)22-20(17-12-6-2-7-13-17)25-21(24)18-14-8-3-9-15-18/h1-15H/b22-20+
InChIKeyNLZNVNVWVPALLG-LSDHQDQOSA-N
MW329.36 g/mol
LogP4.13
Rot. Bonds3

About (N-benzoyl-C-phenylcarbonimidoyl) benzoate

(N-benzoyl-C-phenylcarbonimidoyl) benzoate (PubChem CID 135051381) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (N-benzoyl-C-phenylcarbonimidoyl) benzoate.

Molecular Properties

Compound Name(N-benzoyl-C-phenylcarbonimidoyl) benzoate
PubChem CID135051381
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name(N-benzoyl-C-phenylcarbonimidoyl) benzoate
SMILESO=C(/N=C(/OC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15NO3/c23-19(16-10-4-1-5-11-16)22-20(17-12-6-2-7-13-17)25-21(24)18-14-8-3-9-15-18/h1-15H/b22-20+
InChIKeyNLZNVNVWVPALLG-LSDHQDQOSA-N
XLogP4.13
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzoyl-C-phenylcarbonimidoyl) benzoate?
The IUPAC name of (N-benzoyl-C-phenylcarbonimidoyl) benzoate (CID 135051381) is (N-benzoyl-C-phenylcarbonimidoyl) benzoate.
What is the SMILES notation for (N-benzoyl-C-phenylcarbonimidoyl) benzoate?
The canonical SMILES for (N-benzoyl-C-phenylcarbonimidoyl) benzoate is O=C(/N=C(/OC(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (N-benzoyl-C-phenylcarbonimidoyl) benzoate?
The InChIKey is NLZNVNVWVPALLG-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H15NO3/c23-19(16-10-4-1-5-11-16)22-20(17-12-6-2-7-13-17)25-21(24)18-14-8-3-9-15-18/h1-15H/b22-20+.
What are the key properties of (N-benzoyl-C-phenylcarbonimidoyl) benzoate?
(N-benzoyl-C-phenylcarbonimidoyl) benzoate has a molecular weight of 329.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-benzoyl-C-phenylcarbonimidoyl) benzoate is sourced from PubChem (CID 135051381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).