2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C16H21F3N2O3 — CID 95347315

IUPAC2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCC[C@H]1CCCO)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)24-14-7-5-12(6-8-14)20-15(23)11-21-9-1-3-13(21)4-2-10-22/h5-8,13,22H,1-4,9-11H2,(H,20,23)/t13-/m0/s1
InChIKeyMMHMGRMFKMZYNW-ZDUSSCGKSA-N
MW346.35 g/mol
LogP2.76
Rot. Bonds7

About 2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 95347315) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID95347315
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCC[C@H]1CCCO)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)24-14-7-5-12(6-8-14)20-15(23)11-21-9-1-3-13(21)4-2-10-22/h5-8,13,22H,1-4,9-11H2,(H,20,23)/t13-/m0/s1
InChIKeyMMHMGRMFKMZYNW-ZDUSSCGKSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467277
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 111462087
2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2098901
2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 146099258
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 62467819
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide
CID 111103086
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46802147
N-(4-chloro-2-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466914
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111431815

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 95347315) is 2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1CCC[C@H]1CCCO)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is MMHMGRMFKMZYNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c17-16(18,19)24-14-7-5-12(6-8-14)20-15(23)11-21-9-1-3-13(21)4-2-10-22/h5-8,13,22H,1-4,9-11H2,(H,20,23)/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 95347315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).