5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide

C13H13ClF3N3O2 — CID 88926399

IUPAC5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(Cl)ccc1N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C13H13ClF3N3O2/c14-7-1-2-10(9(5-7)11(18)21)20-4-3-8(6-20)19-12(22)13(15,16)17/h1-2,5,8H,3-4,6H2,(H2,18,21)(H,19,22)
InChIKeyZJXKYIWJKAMFGD-UHFFFAOYSA-N
MW335.71 g/mol
LogP1.70
Rot. Bonds3

About 5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide

5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide (PubChem CID 88926399) has the molecular formula C13H13ClF3N3O2 and a molecular weight of 335.71 g/mol. Its IUPAC name is 5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide
PubChem CID88926399
Molecular FormulaC13H13ClF3N3O2
Molecular Weight335.71 g/mol
Exact Mass335.06
IUPAC Name5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(Cl)ccc1N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C13H13ClF3N3O2/c14-7-1-2-10(9(5-7)11(18)21)20-4-3-8(6-20)19-12(22)13(15,16)17/h1-2,5,8H,3-4,6H2,(H2,18,21)(H,19,22)
InChIKeyZJXKYIWJKAMFGD-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide?
The IUPAC name of 5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide (CID 88926399) is 5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide is NC(=O)c1cc(Cl)ccc1N1CCC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide?
The InChIKey is ZJXKYIWJKAMFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O2/c14-7-1-2-10(9(5-7)11(18)21)20-4-3-8(6-20)19-12(22)13(15,16)17/h1-2,5,8H,3-4,6H2,(H2,18,21)(H,19,22).
What are the key properties of 5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide?
5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide has a molecular weight of 335.71 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 88926399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).