2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide

C24H20Cl2N2O2 — CID 23991548

About 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide

2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 23991548) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
• PubChem CID: 23991548
• Molecular Formula: C24H20Cl2N2O2
• Molecular Weight: 439.34 g/mol
• Exact Mass: 438.09
• IUPAC Name: 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
• SMILES: CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1
• InChI: InChI=1S/C24H20Cl2N2O2/c1-14(2)16-6-10-22-21(12-16)28-24(30-22)17-5-9-19(26)20(13-17)27-23(29)11-15-3-7-18(25)8-4-15/h3-10,12-14H,11H2,1-2H3,(H,27,29)
• InChIKey: DWDHBJCUTJMLLN-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.34
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 23991548) is 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide is CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?

The InChIKey is DWDHBJCUTJMLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c1-14(2)16-6-10-22-21(12-16)28-24(30-22)17-5-9-19(26)20(13-17)27-23(29)11-15-3-7-18(25)8-4-15/h3-10,12-14H,11H2,1-2H3,(H,27,29).

What are the key properties of 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide?

2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 439.34 g/mol, XLogP of 7.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 23991548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).