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

C16H16ClF3N2O2 — CID 42641126

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)C1CCC(=O)N1C1CC1
InChIInChI=1S/C16H16ClF3N2O2/c17-14-9(2-1-3-11(14)16(18,19)20)8-21-15(24)12-6-7-13(23)22(12)10-4-5-10/h1-3,10,12H,4-8H2,(H,21,24)
InChIKeyPFQGMOIIEOEFEH-UHFFFAOYSA-N
MW360.76 g/mol
LogP3.13
Rot. Bonds4

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

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 42641126) has the molecular formula C16H16ClF3N2O2 and a molecular weight of 360.76 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide
PubChem CID42641126
Molecular FormulaC16H16ClF3N2O2
Molecular Weight360.76 g/mol
Exact Mass360.09
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)C1CCC(=O)N1C1CC1
InChIInChI=1S/C16H16ClF3N2O2/c17-14-9(2-1-3-11(14)16(18,19)20)8-21-15(24)12-6-7-13(23)22(12)10-4-5-10/h1-3,10,12H,4-8H2,(H,21,24)
InChIKeyPFQGMOIIEOEFEH-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide (CID 42641126) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1Cl)C1CCC(=O)N1C1CC1.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PFQGMOIIEOEFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O2/c17-14-9(2-1-3-11(14)16(18,19)20)8-21-15(24)12-6-7-13(23)22(12)10-4-5-10/h1-3,10,12H,4-8H2,(H,21,24).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 360.76 g/mol, XLogP of 3.13, 4 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-cyclopropyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 42641126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).