(2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C17H23F3N2O — CID 95291139

IUPAC(2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESC[C@@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c1-11-7-8-12(2)22(11)13(3)16(23)21-10-14-5-4-6-15(9-14)17(18,19)20/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,21,23)/t11-,12-,13+/m1/s1
InChIKeyMXHYBCGJPJFMNM-UPJWGTAASA-N
MW328.38 g/mol
LogP3.58
Rot. Bonds4

About (2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

(2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 95291139) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is (2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID95291139
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name(2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESC[C@@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c1-11-7-8-12(2)22(11)13(3)16(23)21-10-14-5-4-6-15(9-14)17(18,19)20/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,21,23)/t11-,12-,13+/m1/s1
InChIKeyMXHYBCGJPJFMNM-UPJWGTAASA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
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CID 119679736
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
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methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
(2R)-2-(4-nitropyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
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(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 92801483
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
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2-methyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 95291139) is (2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is C[C@@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is MXHYBCGJPJFMNM-UPJWGTAASA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-11-7-8-12(2)22(11)13(3)16(23)21-10-14-5-4-6-15(9-14)17(18,19)20/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,21,23)/t11-,12-,13+/m1/s1.
What are the key properties of (2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
(2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 328.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 95291139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).