2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H7BrClF3N2OS — CID 102840392

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H7BrClF3N2OS/c9-3-1-4(17-6(3)10)5(7(14)16)15-2-8(11,12)13/h1,5,15H,2H2,(H2,14,16)
InChIKeyPWESNEGXTDVOFR-UHFFFAOYSA-N
MW351.58 g/mol
LogP2.84
Rot. Bonds4

About 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 102840392) has the molecular formula C8H7BrClF3N2OS and a molecular weight of 351.58 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID102840392
Molecular FormulaC8H7BrClF3N2OS
Molecular Weight351.58 g/mol
Exact Mass349.91
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H7BrClF3N2OS/c9-3-1-4(17-6(3)10)5(7(14)16)15-2-8(11,12)13/h1,5,15H,2H2,(H2,14,16)
InChIKeyPWESNEGXTDVOFR-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 102840392) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is NC(=O)C(NCC(F)(F)F)c1cc(Br)c(Cl)s1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PWESNEGXTDVOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF3N2OS/c9-3-1-4(17-6(3)10)5(7(14)16)15-2-8(11,12)13/h1,5,15H,2H2,(H2,14,16).
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 351.58 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 102840392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).