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

C10H12BrF3N2OS — CID 114140444

IUPAC2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCc1ccc(Br)s1)NCC(F)(F)F
InChIInChI=1S/C10H12BrF3N2OS/c11-8-2-1-7(18-8)3-4-15-5-9(17)16-6-10(12,13)14/h1-2,15H,3-6H2,(H,16,17)
InChIKeyKXJHXXHMIKDCOV-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.32
Rot. Bonds6

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

2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114140444) has the molecular formula C10H12BrF3N2OS and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114140444
Molecular FormulaC10H12BrF3N2OS
Molecular Weight345.18 g/mol
Exact Mass343.98
IUPAC Name2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCc1ccc(Br)s1)NCC(F)(F)F
InChIInChI=1S/C10H12BrF3N2OS/c11-8-2-1-7(18-8)3-4-15-5-9(17)16-6-10(12,13)14/h1-2,15H,3-6H2,(H,16,17)
InChIKeyKXJHXXHMIKDCOV-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-(thiophen-2-yl)ethyl]acetamide
CID 57130484
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
(2S)-2-[[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]amino]-N-(cyanomethyl)-4-methylpentanamide
CID 10237863
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
(2S)-N-[1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethyl]-2-(cyanomethylamino)-4-methylpentanamide
CID 87388210
2-[(5-bromothiophen-2-yl)methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 172379198
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26650821
N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32777819
1-[2-(5-Bromothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47140135
2-(2-thiophen-2-ylethylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 47158927
(E)-3-(5-bromothiophen-2-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
CID 47330525

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 114140444) is 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCCc1ccc(Br)s1)NCC(F)(F)F.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KXJHXXHMIKDCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2OS/c11-8-2-1-7(18-8)3-4-15-5-9(17)16-6-10(12,13)14/h1-2,15H,3-6H2,(H,16,17).
What are the key properties of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 345.18 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114140444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).