N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C14H17F3N2O3 — CID 120946931

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)NCC1CNCC1O
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)10-1-3-11(4-2-10)22-8-13(21)19-6-9-5-18-7-12(9)20/h1-4,9,12,18,20H,5-8H2,(H,19,21)
InChIKeySCTWYIGOBNTNEN-UHFFFAOYSA-N
MW318.30 g/mol
LogP0.78
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 120946931) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID120946931
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)NCC1CNCC1O
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)10-1-3-11(4-2-10)22-8-13(21)19-6-9-5-18-7-12(9)20/h1-4,9,12,18,20H,5-8H2,(H,19,21)
InChIKeySCTWYIGOBNTNEN-UHFFFAOYSA-N
XLogP0.78
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945161
2-(3-chloro-4-fluorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943889
2-(3-fluoro-4-nitrophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120946560
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 120943410
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 120945181
2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510054
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 120943626
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-naphthalen-1-yloxyacetamide
CID 120944120
2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948074

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 120946931) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccc(C(F)(F)F)cc1)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is SCTWYIGOBNTNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)10-1-3-11(4-2-10)22-8-13(21)19-6-9-5-18-7-12(9)20/h1-4,9,12,18,20H,5-8H2,(H,19,21).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 318.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 120946931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).