2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide

C22H22F6N2O2 — CID 10049890

IUPAC2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide
SMILESNC(=O)CN[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1
InChIInChI=1S/C22H22F6N2O2/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-32-18-7-6-17(30-11-19(29)31)20(18)14-4-2-1-3-5-14/h1-5,8-10,17-18,20,30H,6-7,11-12H2,(H2,29,31)/t17-,18+,20+/m1/s1
InChIKeyFIYPEZLIXJZQOT-HBFSDRIKSA-N
MW460.42 g/mol
LogP4.63
Rot. Bonds7

About 2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide

2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide (PubChem CID 10049890) has the molecular formula C22H22F6N2O2 and a molecular weight of 460.42 g/mol. Its IUPAC name is 2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide
PubChem CID10049890
Molecular FormulaC22H22F6N2O2
Molecular Weight460.42 g/mol
Exact Mass460.16
IUPAC Name2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide
SMILESNC(=O)CN[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1
InChIInChI=1S/C22H22F6N2O2/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-32-18-7-6-17(30-11-19(29)31)20(18)14-4-2-1-3-5-14/h1-5,8-10,17-18,20,30H,6-7,11-12H2,(H2,29,31)/t17-,18+,20+/m1/s1
InChIKeyFIYPEZLIXJZQOT-HBFSDRIKSA-N
XLogP4.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide?
The IUPAC name of 2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide (CID 10049890) is 2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide.
What is the SMILES notation for 2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide?
The canonical SMILES for 2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide is NC(=O)CN[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1.
What is the InChIKey of 2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide?
The InChIKey is FIYPEZLIXJZQOT-HBFSDRIKSA-N. The full InChI is InChI=1S/C22H22F6N2O2/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-32-18-7-6-17(30-11-19(29)31)20(18)14-4-2-1-3-5-14/h1-5,8-10,17-18,20,30H,6-7,11-12H2,(H2,29,31)/t17-,18+,20+/m1/s1.
What are the key properties of 2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide?
2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide has a molecular weight of 460.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]acetamide is sourced from PubChem (CID 10049890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).