2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide

C19H19F3N2O3 — CID 174743055

IUPAC2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCC1(O)CCN(c2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C19H19F3N2O3/c1-18(26)10-11-24(12-18)16-5-3-2-4-15(16)17(25)23-13-6-8-14(9-7-13)27-19(20,21)22/h2-9,26H,10-12H2,1H3,(H,23,25)
InChIKeyKEOXVYIYBKNPPM-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.80
Rot. Bonds4

About 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide

2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 174743055) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID174743055
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCC1(O)CCN(c2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C19H19F3N2O3/c1-18(26)10-11-24(12-18)16-5-3-2-4-15(16)17(25)23-13-6-8-14(9-7-13)27-19(20,21)22/h2-9,26H,10-12H2,1H3,(H,23,25)
InChIKeyKEOXVYIYBKNPPM-UHFFFAOYSA-N
XLogP3.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
4-[5-(methylamino)-2-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58600762
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289008
N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
CID 131937049
ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate
CID 1490625
4-(4-methyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58601006
6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118195076
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905
4-[[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-N-phenylpyridine-3-carboxamide
CID 141097158

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 174743055) is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide is CC1(O)CCN(c2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is KEOXVYIYBKNPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-18(26)10-11-24(12-18)16-5-3-2-4-15(16)17(25)23-13-6-8-14(9-7-13)27-19(20,21)22/h2-9,26H,10-12H2,1H3,(H,23,25).
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 174743055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).