2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C9H10BrF3N2OS — CID 60957963

IUPAC2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1ccc(Br)s1)NCC(F)(F)F
InChIInChI=1S/C9H10BrF3N2OS/c10-7-2-1-6(17-7)3-14-4-8(16)15-5-9(11,12)13/h1-2,14H,3-5H2,(H,15,16)
InChIKeyJNZJAIYTKXAKFT-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.28
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60957963) has the molecular formula C9H10BrF3N2OS and a molecular weight of 331.16 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60957963
Molecular FormulaC9H10BrF3N2OS
Molecular Weight331.16 g/mol
Exact Mass329.96
IUPAC Name2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1ccc(Br)s1)NCC(F)(F)F
InChIInChI=1S/C9H10BrF3N2OS/c10-7-2-1-6(17-7)3-14-4-8(16)15-5-9(11,12)13/h1-2,14H,3-5H2,(H,15,16)
InChIKeyJNZJAIYTKXAKFT-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103619237
2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide
CID 61012579
N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540445
N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 60957323
2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115686109
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
2-[(5-bromothiophen-2-yl)methylamino]-N'-hydroxyethanimidamide
CID 77030355
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide;hydrochloride
CID 91663076
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647375

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60957963) is 2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCc1ccc(Br)s1)NCC(F)(F)F.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JNZJAIYTKXAKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2OS/c10-7-2-1-6(17-7)3-14-4-8(16)15-5-9(11,12)13/h1-2,14H,3-5H2,(H,15,16).
What are the key properties of 2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 331.16 g/mol, XLogP of 2.28, 5 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)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60957963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).