N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide

C15H18F3N3O2 — CID 119485287

IUPACN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC(CN)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2/c1-9(22)20-13-5-11(4-12(6-13)15(16,17)18)14(23)21-3-2-10(7-19)8-21/h4-6,10H,2-3,7-8,19H2,1H3,(H,20,22)
InChIKeyIEIAQJNLXFIGFI-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.08
Rot. Bonds3

About N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide

N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 119485287) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
PubChem CID119485287
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC(CN)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2/c1-9(22)20-13-5-11(4-12(6-13)15(16,17)18)14(23)21-3-2-10(7-19)8-21/h4-6,10H,2-3,7-8,19H2,1H3,(H,20,22)
InChIKeyIEIAQJNLXFIGFI-UHFFFAOYSA-N
XLogP2.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide (CID 119485287) is N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCC(CN)C2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IEIAQJNLXFIGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-9(22)20-13-5-11(4-12(6-13)15(16,17)18)14(23)21-3-2-10(7-19)8-21/h4-6,10H,2-3,7-8,19H2,1H3,(H,20,22).
What are the key properties of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide?
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 329.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 119485287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).