2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H8BrF3N2OS — CID 61346823

IUPAC2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H8BrF3N2OS/c9-5-2-1-4(16-5)6(7(13)15)14-3-8(10,11)12/h1-2,6,14H,3H2,(H2,13,15)
InChIKeyAWMKVVNHPWXHMM-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.19
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 61346823) has the molecular formula C8H8BrF3N2OS and a molecular weight of 317.13 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID61346823
Molecular FormulaC8H8BrF3N2OS
Molecular Weight317.13 g/mol
Exact Mass315.95
IUPAC Name2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H8BrF3N2OS/c9-5-2-1-4(16-5)6(7(13)15)14-3-8(10,11)12/h1-2,6,14H,3H2,(H2,13,15)
InChIKeyAWMKVVNHPWXHMM-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 61346823) is 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is NC(=O)C(NCC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is AWMKVVNHPWXHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2OS/c9-5-2-1-4(16-5)6(7(13)15)14-3-8(10,11)12/h1-2,6,14H,3H2,(H2,13,15).
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 317.13 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 61346823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).