trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide

C23H26F3NO3 — CID 11640384

IUPACtrans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCC[C@H]1C(O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H26F3NO3/c24-23(25,26)30-18-12-9-16(10-13-18)11-14-21(28)19-7-4-8-20(19)22(29)27-15-17-5-2-1-3-6-17/h1-3,5-6,9-10,12-13,19-21,28H,4,7-8,11,14-15H2,(H,27,29)/t19-,20-,21?/m1/s1
InChIKeyLITSAXUKHSGXCN-OSBQEZSISA-N
MW421.46 g/mol
LogP4.61
Rot. Bonds8

About trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide

trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide (PubChem CID 11640384) has the molecular formula C23H26F3NO3 and a molecular weight of 421.46 g/mol. Its IUPAC name is trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide
PubChem CID11640384
Molecular FormulaC23H26F3NO3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Nametrans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCC[C@H]1C(O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H26F3NO3/c24-23(25,26)30-18-12-9-16(10-13-18)11-14-21(28)19-7-4-8-20(19)22(29)27-15-17-5-2-1-3-6-17/h1-3,5-6,9-10,12-13,19-21,28H,4,7-8,11,14-15H2,(H,27,29)/t19-,20-,21?/m1/s1
InChIKeyLITSAXUKHSGXCN-OSBQEZSISA-N
XLogP4.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide (CID 11640384) is trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCC[C@H]1C(O)CCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide?
The InChIKey is LITSAXUKHSGXCN-OSBQEZSISA-N. The full InChI is InChI=1S/C23H26F3NO3/c24-23(25,26)30-18-12-9-16(10-13-18)11-14-21(28)19-7-4-8-20(19)22(29)27-15-17-5-2-1-3-6-17/h1-3,5-6,9-10,12-13,19-21,28H,4,7-8,11,14-15H2,(H,27,29)/t19-,20-,21?/m1/s1.
What are the key properties of trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-benzyl-2-[1-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 11640384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).