N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

C16H21F3N2O2 — CID 120947569

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)NCC1CNCC1O
InChIInChI=1S/C16H21F3N2O2/c1-10(15(23)21-8-12-7-20-9-14(12)22)5-11-3-2-4-13(6-11)16(17,18)19/h2-4,6,10,12,14,20,22H,5,7-9H2,1H3,(H,21,23)
InChIKeyRELZPQHJJSHFLH-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.58
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 120947569) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID120947569
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)C(=O)NCC1CNCC1O
InChIInChI=1S/C16H21F3N2O2/c1-10(15(23)21-8-12-7-20-9-14(12)22)5-11-3-2-4-13(6-11)16(17,18)19/h2-4,6,10,12,14,20,22H,5,7-9H2,1H3,(H,21,23)
InChIKeyRELZPQHJJSHFLH-UHFFFAOYSA-N
XLogP1.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 120943626
2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 119386828
4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962314
2-methyl-2-[[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119187474
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 120948451
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 111479963
N-[2-(aminomethyl)cyclopentyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119601607
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 120943802
3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride
CID 120946312
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 120948683
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 120880996
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 111561047

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 120947569) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide is CC(Cc1cccc(C(F)(F)F)c1)C(=O)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RELZPQHJJSHFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-10(15(23)21-8-12-7-20-9-14(12)22)5-11-3-2-4-13(6-11)16(17,18)19/h2-4,6,10,12,14,20,22H,5,7-9H2,1H3,(H,21,23).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 120947569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).