2-benzyl-N-methoxy-N,4-diphenylbenzamide

C27H23NO2 — CID 87843433

IUPAC2-benzyl-N-methoxy-N,4-diphenylbenzamide
SMILESCON(C(=O)c1ccc(-c2ccccc2)cc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H23NO2/c1-30-28(25-15-9-4-10-16-25)27(29)26-18-17-23(22-13-7-3-8-14-22)20-24(26)19-21-11-5-2-6-12-21/h2-18,20H,19H2,1H3
InChIKeyHCBFKDQZPLCWJY-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.15
Rot. Bonds6

About 2-benzyl-N-methoxy-N,4-diphenylbenzamide

2-benzyl-N-methoxy-N,4-diphenylbenzamide (PubChem CID 87843433) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-benzyl-N-methoxy-N,4-diphenylbenzamide.

Molecular Properties

Compound Name2-benzyl-N-methoxy-N,4-diphenylbenzamide
PubChem CID87843433
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name2-benzyl-N-methoxy-N,4-diphenylbenzamide
SMILESCON(C(=O)c1ccc(-c2ccccc2)cc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H23NO2/c1-30-28(25-15-9-4-10-16-25)27(29)26-18-17-23(22-13-7-3-8-14-22)20-24(26)19-21-11-5-2-6-12-21/h2-18,20H,19H2,1H3
InChIKeyHCBFKDQZPLCWJY-UHFFFAOYSA-N
XLogP6.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-benzyl-N-methoxy-N,4-diphenylbenzamide 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 2-benzyl-N-methoxy-N,4-diphenylbenzamide?
The IUPAC name of 2-benzyl-N-methoxy-N,4-diphenylbenzamide (CID 87843433) is 2-benzyl-N-methoxy-N,4-diphenylbenzamide.
What is the SMILES notation for 2-benzyl-N-methoxy-N,4-diphenylbenzamide?
The canonical SMILES for 2-benzyl-N-methoxy-N,4-diphenylbenzamide is CON(C(=O)c1ccc(-c2ccccc2)cc1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzyl-N-methoxy-N,4-diphenylbenzamide?
The InChIKey is HCBFKDQZPLCWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-30-28(25-15-9-4-10-16-25)27(29)26-18-17-23(22-13-7-3-8-14-22)20-24(26)19-21-11-5-2-6-12-21/h2-18,20H,19H2,1H3.
What are the key properties of 2-benzyl-N-methoxy-N,4-diphenylbenzamide?
2-benzyl-N-methoxy-N,4-diphenylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methoxy-N,4-diphenylbenzamide is sourced from PubChem (CID 87843433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).