N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide

C22H20F6N2O3 — CID 139208342

IUPACN-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3cc(C(F)(F)F)c(F)cc3F)c(F)c2)CNC1=O
InChIInChI=1S/C22H20F6N2O3/c1-2-33-19-6-13(10-29-21(19)32)11-3-4-12(15(23)5-11)7-20(31)30-18-8-14(22(26,27)28)16(24)9-17(18)25/h3-5,8-9,13,19H,2,6-7,10H2,1H3,(H,29,32)(H,30,31)
InChIKeyOKHVISLWDOYLHX-UHFFFAOYSA-N
MW474.40 g/mol
LogP4.31
Rot. Bonds6

About N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide

N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide (PubChem CID 139208342) has the molecular formula C22H20F6N2O3 and a molecular weight of 474.40 g/mol. Its IUPAC name is N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide
PubChem CID139208342
Molecular FormulaC22H20F6N2O3
Molecular Weight474.40 g/mol
Exact Mass474.14
IUPAC NameN-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3cc(C(F)(F)F)c(F)cc3F)c(F)c2)CNC1=O
InChIInChI=1S/C22H20F6N2O3/c1-2-33-19-6-13(10-29-21(19)32)11-3-4-12(15(23)5-11)7-20(31)30-18-8-14(22(26,27)28)16(24)9-17(18)25/h3-5,8-9,13,19H,2,6-7,10H2,1H3,(H,29,32)(H,30,31)
InChIKeyOKHVISLWDOYLHX-UHFFFAOYSA-N
XLogP4.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide?
The IUPAC name of N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide (CID 139208342) is N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide is CCOC1CC(c2ccc(CC(=O)Nc3cc(C(F)(F)F)c(F)cc3F)c(F)c2)CNC1=O.
What is the InChIKey of N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide?
The InChIKey is OKHVISLWDOYLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N2O3/c1-2-33-19-6-13(10-29-21(19)32)11-3-4-12(15(23)5-11)7-20(31)30-18-8-14(22(26,27)28)16(24)9-17(18)25/h3-5,8-9,13,19H,2,6-7,10H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide?
N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide has a molecular weight of 474.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide is sourced from PubChem (CID 139208342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).