3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide

C13H14F3N3O2 — CID 136525672

IUPAC3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(NC(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)9-3-1-2-8(6-9)11(20)18-10-4-5-19(7-10)12(17)21/h1-3,6,10H,4-5,7H2,(H2,17,21)(H,18,20)
InChIKeyQGKRHFLOAXTCSE-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.59
Rot. Bonds2

About 3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide

3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide (PubChem CID 136525672) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
PubChem CID136525672
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(NC(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)9-3-1-2-8(6-9)11(20)18-10-4-5-19(7-10)12(17)21/h1-3,6,10H,4-5,7H2,(H2,17,21)(H,18,20)
InChIKeyQGKRHFLOAXTCSE-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide (CID 136525672) is 3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide is NC(=O)N1CCC(NC(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide?
The InChIKey is QGKRHFLOAXTCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c14-13(15,16)9-3-1-2-8(6-9)11(20)18-10-4-5-19(7-10)12(17)21/h1-3,6,10H,4-5,7H2,(H2,17,21)(H,18,20).
What are the key properties of 3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide?
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136525672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).