2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C23H19ClN2O2 — CID 17176784

About 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 17176784) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
• PubChem CID: 17176784
• Molecular Formula: C23H19ClN2O2
• Molecular Weight: 390.87 g/mol
• Exact Mass: 390.11
• IUPAC Name: 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c(Cl)c1
• InChI: InChI=1S/C23H19ClN2O2/c1-13-4-8-17(18(24)10-13)22(27)25-20-12-16(7-6-15(20)3)23-26-19-9-5-14(2)11-21(19)28-23/h4-12H,1-3H3,(H,25,27)
• InChIKey: OWDBTJJUKZQCCX-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.87
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The IUPAC name of 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 17176784) is 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

What is the SMILES notation for 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The canonical SMILES for 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c(Cl)c1.

What is the InChIKey of 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?

The InChIKey is OWDBTJJUKZQCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-13-4-8-17(18(24)10-13)22(27)25-20-12-16(7-6-15(20)3)23-26-19-9-5-14(2)11-21(19)28-23/h4-12H,1-3H3,(H,25,27).

What are the key properties of 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?

2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 390.87 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 17176784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).