N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide

C16H17F3N2O3 — CID 86924377

IUPACN-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)24-12-7-3-10(4-8-12)15(23)21-9-1-2-13(21)14(22)20-11-5-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,20,22)
InChIKeyASUURQCQKLJHJN-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.47
Rot. Bonds4

About N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 86924377) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
PubChem CID86924377
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC NameN-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)24-12-7-3-10(4-8-12)15(23)21-9-1-2-13(21)14(22)20-11-5-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,20,22)
InChIKeyASUURQCQKLJHJN-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-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-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide (CID 86924377) is N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is ASUURQCQKLJHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c17-16(18,19)24-12-7-3-10(4-8-12)15(23)21-9-1-2-13(21)14(22)20-11-5-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,20,22).
What are the key properties of N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86924377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).