N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

C10H12BrF3N2OS — CID 78924514

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H12BrF3N2OS/c1-16(4-8-2-7(11)5-18-8)9(17)3-15-6-10(12,13)14/h2,5,15H,3-4,6H2,1H3
InChIKeyLHKTZWXMFFZANH-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.62
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924514) has the molecular formula C10H12BrF3N2OS and a molecular weight of 345.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924514
Molecular FormulaC10H12BrF3N2OS
Molecular Weight345.18 g/mol
Exact Mass343.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H12BrF3N2OS/c1-16(4-8-2-7(11)5-18-8)9(17)3-15-6-10(12,13)14/h2,5,15H,3-4,6H2,1H3
InChIKeyLHKTZWXMFFZANH-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924514) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is CN(Cc1cc(Br)cs1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LHKTZWXMFFZANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2OS/c1-16(4-8-2-7(11)5-18-8)9(17)3-15-6-10(12,13)14/h2,5,15H,3-4,6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 345.18 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).