2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide

C10H12BrF3N2OS — CID 79805498

IUPAC2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H12BrF3N2OS/c1-9(15,10(12,13)14)8(17)16(2)4-7-3-6(11)5-18-7/h3,5H,4,15H2,1-2H3
InChIKeyMOEWZZMNEXVLMV-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.75
Rot. Bonds3

About 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide

2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide (PubChem CID 79805498) has the molecular formula C10H12BrF3N2OS and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
PubChem CID79805498
Molecular FormulaC10H12BrF3N2OS
Molecular Weight345.18 g/mol
Exact Mass343.98
IUPAC Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H12BrF3N2OS/c1-9(15,10(12,13)14)8(17)16(2)4-7-3-6(11)5-18-7/h3,5H,4,15H2,1-2H3
InChIKeyMOEWZZMNEXVLMV-UHFFFAOYSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide (CID 79805498) is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide is CN(Cc1cc(Br)cs1)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The InChIKey is MOEWZZMNEXVLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2OS/c1-9(15,10(12,13)14)8(17)16(2)4-7-3-6(11)5-18-7/h3,5H,4,15H2,1-2H3.
What are the key properties of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide has a molecular weight of 345.18 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide is sourced from PubChem (CID 79805498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).