N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide

C11H11BrF3NOS — CID 43077513

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NOS/c1-6(18-2)10(17)16-7-3-4-9(12)8(5-7)11(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyLVWNFYNRVLBLHB-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.16
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide (PubChem CID 43077513) has the molecular formula C11H11BrF3NOS and a molecular weight of 342.18 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide
PubChem CID43077513
Molecular FormulaC11H11BrF3NOS
Molecular Weight342.18 g/mol
Exact Mass340.97
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NOS/c1-6(18-2)10(17)16-7-3-4-9(12)8(5-7)11(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyLVWNFYNRVLBLHB-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide
CID 62727569
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852165
(2R)-2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 79001303
2-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769620
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 81083146
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110890752
methyl 2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112617350
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride
CID 119955848
2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
CID 60672750
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbut-2-enamide
CID 42997959
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
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CID 13411359

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide (CID 43077513) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide?
The InChIKey is LVWNFYNRVLBLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NOS/c1-6(18-2)10(17)16-7-3-4-9(12)8(5-7)11(13,14)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide has a molecular weight of 342.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 43077513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).