N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide

C19H19F3N2O — CID 99883062

IUPACN-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H]1CCCN1c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)17-11-5-4-10-16(17)18(25)23-13-15-9-6-12-24(15)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,23,25)/t15-/m0/s1
InChIKeyRLKCAJGPEDGDGU-HNNXBMFYSA-N
MW348.37 g/mol
LogP4.10
Rot. Bonds4

About N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide

N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 99883062) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID99883062
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H]1CCCN1c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)17-11-5-4-10-16(17)18(25)23-13-15-9-6-12-24(15)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,23,25)/t15-/m0/s1
InChIKeyRLKCAJGPEDGDGU-HNNXBMFYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide (CID 99883062) is N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide is O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is RLKCAJGPEDGDGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)17-11-5-4-10-16(17)18(25)23-13-15-9-6-12-24(15)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 348.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 99883062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).