N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H16F3N3O — CID 78958534

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ccc(CNC(=O)CNCC(F)(F)F)n1C
InChIInChI=1S/C11H16F3N3O/c1-8-3-4-9(17(8)2)5-16-10(18)6-15-7-11(12,13)14/h3-4,15H,5-7H2,1-2H3,(H,16,18)
InChIKeyRAXXNGYKIIPZES-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.10
Rot. Bonds5

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958534) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958534
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ccc(CNC(=O)CNCC(F)(F)F)n1C
InChIInChI=1S/C11H16F3N3O/c1-8-3-4-9(17(8)2)5-16-10(18)6-15-7-11(12,13)14/h3-4,15H,5-7H2,1-2H3,(H,16,18)
InChIKeyRAXXNGYKIIPZES-UHFFFAOYSA-N
XLogP1.10
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958534) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1ccc(CNC(=O)CNCC(F)(F)F)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is RAXXNGYKIIPZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8-3-4-9(17(8)2)5-16-10(18)6-15-7-11(12,13)14/h3-4,15H,5-7H2,1-2H3,(H,16,18).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 263.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).