N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide

C21H22ClF3N2O2 — CID 112768856

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(c1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C21H22ClF3N2O2/c22-18-9-8-16(11-17(18)21(23,24)25)26-20(29)19(15-6-2-1-3-7-15)27-10-4-5-14(12-27)13-28/h1-3,6-9,11,14,19,28H,4-5,10,12-13H2,(H,26,29)
InChIKeyGQJJFGOUFSAIAS-UHFFFAOYSA-N
MW426.87 g/mol
LogP4.74
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide (PubChem CID 112768856) has the molecular formula C21H22ClF3N2O2 and a molecular weight of 426.87 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide
PubChem CID112768856
Molecular FormulaC21H22ClF3N2O2
Molecular Weight426.87 g/mol
Exact Mass426.13
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(c1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C21H22ClF3N2O2/c22-18-9-8-16(11-17(18)21(23,24)25)26-20(29)19(15-6-2-1-3-7-15)27-10-4-5-14(12-27)13-28/h1-3,6-9,11,14,19,28H,4-5,10,12-13H2,(H,26,29)
InChIKeyGQJJFGOUFSAIAS-UHFFFAOYSA-N
XLogP4.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.87
LogP ≤ 54.74
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-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide (CID 112768856) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(c1ccccc1)N1CCCC(CO)C1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide?
The InChIKey is GQJJFGOUFSAIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O2/c22-18-9-8-16(11-17(18)21(23,24)25)26-20(29)19(15-6-2-1-3-7-15)27-10-4-5-14(12-27)13-28/h1-3,6-9,11,14,19,28H,4-5,10,12-13H2,(H,26,29).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide has a molecular weight of 426.87 g/mol, XLogP of 4.74, 5 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-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 112768856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).