N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide

C16H18ClF3N2O2 — CID 59303329

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC(C)(C)C1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C16H18ClF3N2O2/c1-15(2)7-11(23)22(3)13(15)14(24)21-8-9-5-4-6-10(12(9)17)16(18,19)20/h4-6,13H,7-8H2,1-3H3,(H,21,24)
InChIKeyVVWMBHKNRDAODD-UHFFFAOYSA-N
MW362.78 g/mol
LogP3.23
Rot. Bonds3

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 59303329) has the molecular formula C16H18ClF3N2O2 and a molecular weight of 362.78 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID59303329
Molecular FormulaC16H18ClF3N2O2
Molecular Weight362.78 g/mol
Exact Mass362.10
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC(C)(C)C1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C16H18ClF3N2O2/c1-15(2)7-11(23)22(3)13(15)14(24)21-8-9-5-4-6-10(12(9)17)16(18,19)20/h4-6,13H,7-8H2,1-3H3,(H,21,24)
InChIKeyVVWMBHKNRDAODD-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide (CID 59303329) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CC(C)(C)C1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VVWMBHKNRDAODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O2/c1-15(2)7-11(23)22(3)13(15)14(24)21-8-9-5-4-6-10(12(9)17)16(18,19)20/h4-6,13H,7-8H2,1-3H3,(H,21,24).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 362.78 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3,3-trimethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 59303329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).