(N-acetyl-C-phenylcarbonimidoyl) benzoate

C16H13NO3 — CID 135051288

IUPAC(N-acetyl-C-phenylcarbonimidoyl) benzoate
SMILESCC(=O)/N=C(/OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO3/c1-12(18)17-15(13-8-4-2-5-9-13)20-16(19)14-10-6-3-7-11-14/h2-11H,1H3/b17-15+
InChIKeyFZHPJHKJAVZBAU-BMRADRMJSA-N
MW267.28 g/mol
LogP2.84
Rot. Bonds2

About (N-acetyl-C-phenylcarbonimidoyl) benzoate

(N-acetyl-C-phenylcarbonimidoyl) benzoate (PubChem CID 135051288) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (N-acetyl-C-phenylcarbonimidoyl) benzoate.

Molecular Properties

Compound Name(N-acetyl-C-phenylcarbonimidoyl) benzoate
PubChem CID135051288
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(N-acetyl-C-phenylcarbonimidoyl) benzoate
SMILESCC(=O)/N=C(/OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO3/c1-12(18)17-15(13-8-4-2-5-9-13)20-16(19)14-10-6-3-7-11-14/h2-11H,1H3/b17-15+
InChIKeyFZHPJHKJAVZBAU-BMRADRMJSA-N
XLogP2.84
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.84
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'}

Analyze (N-acetyl-C-phenylcarbonimidoyl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (N-acetyl-C-phenylcarbonimidoyl) benzoate?
The IUPAC name of (N-acetyl-C-phenylcarbonimidoyl) benzoate (CID 135051288) is (N-acetyl-C-phenylcarbonimidoyl) benzoate.
What is the SMILES notation for (N-acetyl-C-phenylcarbonimidoyl) benzoate?
The canonical SMILES for (N-acetyl-C-phenylcarbonimidoyl) benzoate is CC(=O)/N=C(/OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (N-acetyl-C-phenylcarbonimidoyl) benzoate?
The InChIKey is FZHPJHKJAVZBAU-BMRADRMJSA-N. The full InChI is InChI=1S/C16H13NO3/c1-12(18)17-15(13-8-4-2-5-9-13)20-16(19)14-10-6-3-7-11-14/h2-11H,1H3/b17-15+.
What are the key properties of (N-acetyl-C-phenylcarbonimidoyl) benzoate?
(N-acetyl-C-phenylcarbonimidoyl) benzoate has a molecular weight of 267.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-acetyl-C-phenylcarbonimidoyl) benzoate is sourced from PubChem (CID 135051288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).