3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide

C25H21NO3 — CID 59443453

IUPAC3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C25H21NO3/c1-28-23-11-10-17-12-18(8-9-19(17)14-23)20-13-21(16-24(15-20)29-2)25(27)26-22-6-4-3-5-7-22/h3-16H,1-2H3,(H,26,27)
InChIKeyVAQWWCNEZPETPC-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.78
Rot. Bonds5

About 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide

3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide (PubChem CID 59443453) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide
PubChem CID59443453
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C25H21NO3/c1-28-23-11-10-17-12-18(8-9-19(17)14-23)20-13-21(16-24(15-20)29-2)25(27)26-22-6-4-3-5-7-22/h3-16H,1-2H3,(H,26,27)
InChIKeyVAQWWCNEZPETPC-UHFFFAOYSA-N
XLogP5.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide 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 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide?
The IUPAC name of 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide (CID 59443453) is 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide.
What is the SMILES notation for 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide?
The canonical SMILES for 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide is COc1cc(C(=O)Nc2ccccc2)cc(-c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide?
The InChIKey is VAQWWCNEZPETPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-28-23-11-10-17-12-18(8-9-19(17)14-23)20-13-21(16-24(15-20)29-2)25(27)26-22-6-4-3-5-7-22/h3-16H,1-2H3,(H,26,27).
What are the key properties of 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide?
3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(6-methoxynaphthalen-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 59443453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).