2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide

C26H22F2N2O5 — CID 46035601

IUPAC2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21)c1ccccc1
InChIInChI=1S/C26H22F2N2O5/c1-16(17-5-3-2-4-6-17)29-25(32)13-30-21-11-18(7-9-24(21)35-15-26(30)33)22(31)14-34-23-10-8-19(27)12-20(23)28/h2-12,16H,13-15H2,1H3,(H,29,32)
InChIKeyRHHPPWGWSBGUDX-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.83
Rot. Bonds8

About 2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide

2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide (PubChem CID 46035601) has the molecular formula C26H22F2N2O5 and a molecular weight of 480.47 g/mol. Its IUPAC name is 2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide
PubChem CID46035601
Molecular FormulaC26H22F2N2O5
Molecular Weight480.47 g/mol
Exact Mass480.15
IUPAC Name2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21)c1ccccc1
InChIInChI=1S/C26H22F2N2O5/c1-16(17-5-3-2-4-6-17)29-25(32)13-30-21-11-18(7-9-24(21)35-15-26(30)33)22(31)14-34-23-10-8-19(27)12-20(23)28/h2-12,16H,13-15H2,1H3,(H,29,32)
InChIKeyRHHPPWGWSBGUDX-UHFFFAOYSA-N
XLogP3.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide (CID 46035601) is 2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21)c1ccccc1.
What is the InChIKey of 2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is RHHPPWGWSBGUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O5/c1-16(17-5-3-2-4-6-17)29-25(32)13-30-21-11-18(7-9-24(21)35-15-26(30)33)22(31)14-34-23-10-8-19(27)12-20(23)28/h2-12,16H,13-15H2,1H3,(H,29,32).
What are the key properties of 2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide?
2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 480.47 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 46035601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).