3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C23H18Cl2N2O3 — CID 17110722

About 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 17110722) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
• PubChem CID: 17110722
• Molecular Formula: C23H18Cl2N2O3
• Molecular Weight: 441.31 g/mol
• Exact Mass: 440.07
• IUPAC Name: 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
• SMILES: COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C
• InChI: InChI=1S/C23H18Cl2N2O3/c1-12-4-7-18-20(8-12)30-23(27-18)14-6-5-13(2)19(9-14)26-22(28)16-10-15(24)11-17(25)21(16)29-3/h4-11H,1-3H3,(H,26,28)
• InChIKey: POJATYWPAUAEJJ-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.31
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The IUPAC name of 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 17110722) is 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

What is the SMILES notation for 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The canonical SMILES for 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C.

What is the InChIKey of 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The InChIKey is POJATYWPAUAEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-12-4-7-18-20(8-12)30-23(27-18)14-6-5-13(2)19(9-14)26-22(28)16-10-15(24)11-17(25)21(16)29-3/h4-11H,1-3H3,(H,26,28).

What are the key properties of 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?

3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 441.31 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-2-methoxy-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 17110722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).