2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide

C16H21F3N2O3 — CID 110921401

IUPAC2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESO=C(CN1CCC[C@@H]1CO)NCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)12-3-5-14(6-4-12)24-9-7-20-15(23)10-21-8-1-2-13(21)11-22/h3-6,13,22H,1-2,7-11H2,(H,20,23)/t13-/m1/s1
InChIKeyDOKRIEYIWBWASB-CYBMUJFWSA-N
MW346.35 g/mol
LogP1.66
Rot. Bonds7

About 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide (PubChem CID 110921401) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
PubChem CID110921401
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESO=C(CN1CCC[C@@H]1CO)NCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)12-3-5-14(6-4-12)24-9-7-20-15(23)10-21-8-1-2-13(21)11-22/h3-6,13,22H,1-2,7-11H2,(H,20,23)/t13-/m1/s1
InChIKeyDOKRIEYIWBWASB-CYBMUJFWSA-N
XLogP1.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60685168
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 110921436
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921406
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 62014539
N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62047041
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60684865
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921510
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 119736772
1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 55803507
3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296668
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide
CID 72687729
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide
CID 110921438

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
The IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide (CID 110921401) is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
The canonical SMILES for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide is O=C(CN1CCC[C@@H]1CO)NCCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
The InChIKey is DOKRIEYIWBWASB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c17-16(18,19)12-3-5-14(6-4-12)24-9-7-20-15(23)10-21-8-1-2-13(21)11-22/h3-6,13,22H,1-2,7-11H2,(H,20,23)/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 110921401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).