(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C16H18ClF3N2O2 — CID 67460667

IUPAC(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C16H18ClF3N2O2/c1-9(2)22-12(6-7-13(22)23)15(24)21-8-10-4-3-5-11(14(10)17)16(18,19)20/h3-5,9,12H,6-8H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyLYKBEBOIQYIUIF-LBPRGKRZSA-N
MW362.78 g/mol
LogP3.37
Rot. Bonds4

About (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 67460667) has the molecular formula C16H18ClF3N2O2 and a molecular weight of 362.78 g/mol. Its IUPAC name is (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID67460667
Molecular FormulaC16H18ClF3N2O2
Molecular Weight362.78 g/mol
Exact Mass362.10
IUPAC Name(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C16H18ClF3N2O2/c1-9(2)22-12(6-7-13(22)23)15(24)21-8-10-4-3-5-11(14(10)17)16(18,19)20/h3-5,9,12H,6-8H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyLYKBEBOIQYIUIF-LBPRGKRZSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 67460667) is (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is LYKBEBOIQYIUIF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18ClF3N2O2/c1-9(2)22-12(6-7-13(22)23)15(24)21-8-10-4-3-5-11(14(10)17)16(18,19)20/h3-5,9,12H,6-8H2,1-2H3,(H,21,24)/t12-/m0/s1.
What are the key properties of (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 362.78 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67460667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).