2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide

C23H23ClN2O5 — CID 42846720

About 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide

2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 42846720) has the molecular formula C23H23ClN2O5 and a molecular weight of 442.90 g/mol. Its IUPAC name is 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide
• PubChem CID: 42846720
• Molecular Formula: C23H23ClN2O5
• Molecular Weight: 442.90 g/mol
• Exact Mass: 442.13
• IUPAC Name: 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide
• SMILES: Cc1ccc(Cl)c(OCC(=O)c2ccc3c(c2)N(CC(=O)NCC2CC2)C(=O)CO3)c1
• InChI: InChI=1S/C23H23ClN2O5/c1-14-2-6-17(24)21(8-14)30-12-19(27)16-5-7-20-18(9-16)26(23(29)13-31-20)11-22(28)25-10-15-3-4-15/h2,5-9,15H,3-4,10-13H2,1H3,(H,25,28)
• InChIKey: OYUBLNSERTUCRQ-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.90
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide?

The IUPAC name of 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide (CID 42846720) is 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide.

What is the SMILES notation for 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide?

The canonical SMILES for 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide is Cc1ccc(Cl)c(OCC(=O)c2ccc3c(c2)N(CC(=O)NCC2CC2)C(=O)CO3)c1.

What is the InChIKey of 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide?

The InChIKey is OYUBLNSERTUCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5/c1-14-2-6-17(24)21(8-14)30-12-19(27)16-5-7-20-18(9-16)26(23(29)13-31-20)11-22(28)25-10-15-3-4-15/h2,5-9,15H,3-4,10-13H2,1H3,(H,25,28).

What are the key properties of 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide?

2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 442.90 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 42846720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).