4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide

C23H23F4N3O4 — CID 139208341

IUPAC4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3ccc(C(N)=O)c(C(F)(F)F)c3)c(F)c2)CNC1=O
InChIInChI=1S/C23H23F4N3O4/c1-2-34-19-8-14(11-29-22(19)33)12-3-4-13(18(24)7-12)9-20(31)30-15-5-6-16(21(28)32)17(10-15)23(25,26)27/h3-7,10,14,19H,2,8-9,11H2,1H3,(H2,28,32)(H,29,33)(H,30,31)
InChIKeyAMUKQBCGNIWPFG-UHFFFAOYSA-N
MW481.45 g/mol
LogP3.13
Rot. Bonds7

About 4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide

4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide (PubChem CID 139208341) has the molecular formula C23H23F4N3O4 and a molecular weight of 481.45 g/mol. Its IUPAC name is 4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide
PubChem CID139208341
Molecular FormulaC23H23F4N3O4
Molecular Weight481.45 g/mol
Exact Mass481.16
IUPAC Name4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3ccc(C(N)=O)c(C(F)(F)F)c3)c(F)c2)CNC1=O
InChIInChI=1S/C23H23F4N3O4/c1-2-34-19-8-14(11-29-22(19)33)12-3-4-13(18(24)7-12)9-20(31)30-15-5-6-16(21(28)32)17(10-15)23(25,26)27/h3-7,10,14,19H,2,8-9,11H2,1H3,(H2,28,32)(H,29,33)(H,30,31)
InChIKeyAMUKQBCGNIWPFG-UHFFFAOYSA-N
XLogP3.13
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.45
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide (CID 139208341) is 4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide is CCOC1CC(c2ccc(CC(=O)Nc3ccc(C(N)=O)c(C(F)(F)F)c3)c(F)c2)CNC1=O.
What is the InChIKey of 4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide?
The InChIKey is AMUKQBCGNIWPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N3O4/c1-2-34-19-8-14(11-29-22(19)33)12-3-4-13(18(24)7-12)9-20(31)30-15-5-6-16(21(28)32)17(10-15)23(25,26)27/h3-7,10,14,19H,2,8-9,11H2,1H3,(H2,28,32)(H,29,33)(H,30,31).
What are the key properties of 4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide?
4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide has a molecular weight of 481.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetyl]amino]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 139208341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).