2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide

C24H24ClFN2O5 — CID 46155085

IUPAC2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide
SMILESO=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3F)cc21)NC1CCCCC1
InChIInChI=1S/C24H24ClFN2O5/c25-16-7-9-21(18(26)11-16)32-13-20(29)15-6-8-22-19(10-15)28(24(31)14-33-22)12-23(30)27-17-4-2-1-3-5-17/h6-11,17H,1-5,12-14H2,(H,27,30)
InChIKeyZMHJRSXUWDWOAT-UHFFFAOYSA-N
MW474.92 g/mol
LogP3.92
Rot. Bonds7

About 2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide

2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide (PubChem CID 46155085) has the molecular formula C24H24ClFN2O5 and a molecular weight of 474.92 g/mol. Its IUPAC name is 2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide
PubChem CID46155085
Molecular FormulaC24H24ClFN2O5
Molecular Weight474.92 g/mol
Exact Mass474.14
IUPAC Name2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide
SMILESO=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3F)cc21)NC1CCCCC1
InChIInChI=1S/C24H24ClFN2O5/c25-16-7-9-21(18(26)11-16)32-13-20(29)15-6-8-22-19(10-15)28(24(31)14-33-22)12-23(30)27-17-4-2-1-3-5-17/h6-11,17H,1-5,12-14H2,(H,27,30)
InChIKeyZMHJRSXUWDWOAT-UHFFFAOYSA-N
XLogP3.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide (CID 46155085) is 2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide is O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3F)cc21)NC1CCCCC1.
What is the InChIKey of 2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide?
The InChIKey is ZMHJRSXUWDWOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O5/c25-16-7-9-21(18(26)11-16)32-13-20(29)15-6-8-22-19(10-15)28(24(31)14-33-22)12-23(30)27-17-4-2-1-3-5-17/h6-11,17H,1-5,12-14H2,(H,27,30).
What are the key properties of 2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide?
2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide has a molecular weight of 474.92 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(4-chloro-2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 46155085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).