N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide

C13H15F4N3O2 — CID 84598313

IUPACN-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide
SMILESCNC(=O)NC(=O)CNC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C13H15F4N3O2/c1-18-12(22)20-11(21)7-19-10(6-13(15,16)17)8-2-4-9(14)5-3-8/h2-5,10,19H,6-7H2,1H3,(H2,18,20,21,22)
InChIKeyQSBYHKKWWWFIBV-UHFFFAOYSA-N
MW321.27 g/mol
LogP1.86
Rot. Bonds5

About N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide

N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide (PubChem CID 84598313) has the molecular formula C13H15F4N3O2 and a molecular weight of 321.27 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide
PubChem CID84598313
Molecular FormulaC13H15F4N3O2
Molecular Weight321.27 g/mol
Exact Mass321.11
IUPAC NameN-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide
SMILESCNC(=O)NC(=O)CNC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C13H15F4N3O2/c1-18-12(22)20-11(21)7-19-10(6-13(15,16)17)8-2-4-9(14)5-3-8/h2-5,10,19H,6-7H2,1H3,(H2,18,20,21,22)
InChIKeyQSBYHKKWWWFIBV-UHFFFAOYSA-N
XLogP1.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide (CID 84598313) is N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide is CNC(=O)NC(=O)CNC(CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide?
The InChIKey is QSBYHKKWWWFIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3O2/c1-18-12(22)20-11(21)7-19-10(6-13(15,16)17)8-2-4-9(14)5-3-8/h2-5,10,19H,6-7H2,1H3,(H2,18,20,21,22).
What are the key properties of N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide?
N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide has a molecular weight of 321.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]amino]acetamide is sourced from PubChem (CID 84598313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).