2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C17H17BrF2N2OS — CID 2698696

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrF2N2OS/c1-22(10-12-2-4-13(18)5-3-12)11-16(23)21-14-6-8-15(9-7-14)24-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,23)
InChIKeyMBQJOWXJAUEYPI-UHFFFAOYSA-N
MW415.30 g/mol
LogP4.83
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 2698696) has the molecular formula C17H17BrF2N2OS and a molecular weight of 415.30 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID2698696
Molecular FormulaC17H17BrF2N2OS
Molecular Weight415.30 g/mol
Exact Mass414.02
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrF2N2OS/c1-22(10-12-2-4-13(18)5-3-12)11-16(23)21-14-6-8-15(9-7-14)24-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,23)
InChIKeyMBQJOWXJAUEYPI-UHFFFAOYSA-N
XLogP4.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 26908550
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 8756660
N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433671
2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
N-[4-(difluoromethylsulfanyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18094879
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442287
2-[(4-bromophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2698720

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 2698696) is 2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is MBQJOWXJAUEYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N2OS/c1-22(10-12-2-4-13(18)5-3-12)11-16(23)21-14-6-8-15(9-7-14)24-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,23).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 415.30 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 2698696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).