N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide

C8H10F3N3O — CID 79260501

IUPACN-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nn1cccc1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-12-5-7(15)13-14-3-1-2-4-14/h1-4,12H,5-6H2,(H,13,15)
InChIKeyJOHLJFGPSKMLFH-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.71
Rot. Bonds4

About N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide

N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260501) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260501
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nn1cccc1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-12-5-7(15)13-14-3-1-2-4-14/h1-4,12H,5-6H2,(H,13,15)
InChIKeyJOHLJFGPSKMLFH-UHFFFAOYSA-N
XLogP0.71
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260501) is N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nn1cccc1.
What is the InChIKey of N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JOHLJFGPSKMLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6-12-5-7(15)13-14-3-1-2-4-14/h1-4,12H,5-6H2,(H,13,15).
What are the key properties of N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide?
N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 221.18 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-yl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).