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

C22H21ClF4N2O3 — CID 139208335

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)CNC1=O
InChIInChI=1S/C22H21ClF4N2O3/c1-2-32-19-8-14(11-28-21(19)31)12-3-4-13(18(24)7-12)9-20(30)29-15-5-6-17(23)16(10-15)22(25,26)27/h3-7,10,14,19H,2,8-9,11H2,1H3,(H,28,31)(H,29,30)
InChIKeyHWLZVEZNJOIQQY-UHFFFAOYSA-N
MW472.87 g/mol
LogP4.69
Rot. Bonds6

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide (PubChem CID 139208335) has the molecular formula C22H21ClF4N2O3 and a molecular weight of 472.87 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide
PubChem CID139208335
Molecular FormulaC22H21ClF4N2O3
Molecular Weight472.87 g/mol
Exact Mass472.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)CNC1=O
InChIInChI=1S/C22H21ClF4N2O3/c1-2-32-19-8-14(11-28-21(19)31)12-3-4-13(18(24)7-12)9-20(30)29-15-5-6-17(23)16(10-15)22(25,26)27/h3-7,10,14,19H,2,8-9,11H2,1H3,(H,28,31)(H,29,30)
InChIKeyHWLZVEZNJOIQQY-UHFFFAOYSA-N
XLogP4.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.87
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide (CID 139208335) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide is CCOC1CC(c2ccc(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)CNC1=O.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide?
The InChIKey is HWLZVEZNJOIQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF4N2O3/c1-2-32-19-8-14(11-28-21(19)31)12-3-4-13(18(24)7-12)9-20(30)29-15-5-6-17(23)16(10-15)22(25,26)27/h3-7,10,14,19H,2,8-9,11H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide has a molecular weight of 472.87 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]acetamide is sourced from PubChem (CID 139208335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).