N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide

C21H23F3N2O — CID 125172341

IUPACN-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide
SMILESC[C@H](CN1CCCC1)NC(=O)c1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O/c1-15(14-26-11-4-5-12-26)25-20(27)17-8-6-7-16(13-17)18-9-2-3-10-19(18)21(22,23)24/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyQBRJALJERWMXPU-OAHLLOKOSA-N
MW376.42 g/mol
LogP4.59
Rot. Bonds5

About N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide

N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 125172341) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID125172341
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide
SMILESC[C@H](CN1CCCC1)NC(=O)c1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O/c1-15(14-26-11-4-5-12-26)25-20(27)17-8-6-7-16(13-17)18-9-2-3-10-19(18)21(22,23)24/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyQBRJALJERWMXPU-OAHLLOKOSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide
CID 156752452
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60508452
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 43435870
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081560
4-fluoro-3-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217350
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide (CID 125172341) is N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide is C[C@H](CN1CCCC1)NC(=O)c1cccc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QBRJALJERWMXPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-15(14-26-11-4-5-12-26)25-20(27)17-8-6-7-16(13-17)18-9-2-3-10-19(18)21(22,23)24/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,25,27)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide?
N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 125172341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).