N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide

C16H20F3NO3 — CID 94678482

IUPACN-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
SMILESO=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C16H20F3NO3/c17-16(18,19)12-5-7-14(8-6-12)23-10-13(21)9-20-15(22)11-3-1-2-4-11/h5-8,11,13,21H,1-4,9-10H2,(H,20,22)/t13-/m1/s1
InChIKeyPCLWYNLJFCWPFU-CYBMUJFWSA-N
MW331.33 g/mol
LogP2.75
Rot. Bonds6

About N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide

N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide (PubChem CID 94678482) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
PubChem CID94678482
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC NameN-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
SMILESO=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C16H20F3NO3/c17-16(18,19)12-5-7-14(8-6-12)23-10-13(21)9-20-15(22)11-3-1-2-4-11/h5-8,11,13,21H,1-4,9-10H2,(H,20,22)/t13-/m1/s1
InChIKeyPCLWYNLJFCWPFU-CYBMUJFWSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclohexanecarboxamide
CID 111102881
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
CID 111102858
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperidine-3-carboxamide
CID 119304982
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidine-3-carboxamide
CID 119305008
(2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide
CID 97251720
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
CID 94678499
2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 119751737
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide (CID 94678482) is N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide is O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)C1CCCC1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide?
The InChIKey is PCLWYNLJFCWPFU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20F3NO3/c17-16(18,19)12-5-7-14(8-6-12)23-10-13(21)9-20-15(22)11-3-1-2-4-11/h5-8,11,13,21H,1-4,9-10H2,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide?
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 94678482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).