N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C17H18BrFN2O4S — CID 126258649

IUPACN-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O
InChIInChI=1S/C17H18BrFN2O4S/c1-3-25-16-7-5-4-6-15(16)21(26(2,23)24)11-17(22)20-14-9-8-12(18)10-13(14)19/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyBZMLIGZYPMBOHD-UHFFFAOYSA-N
MW445.31 g/mol
LogP3.39
Rot. Bonds7

About N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 126258649) has the molecular formula C17H18BrFN2O4S and a molecular weight of 445.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID126258649
Molecular FormulaC17H18BrFN2O4S
Molecular Weight445.31 g/mol
Exact Mass444.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O
InChIInChI=1S/C17H18BrFN2O4S/c1-3-25-16-7-5-4-6-15(16)21(26(2,23)24)11-17(22)20-14-9-8-12(18)10-13(14)19/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyBZMLIGZYPMBOHD-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126334178
N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 126311869
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 1098136
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide
CID 1303646
2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 982515
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
N-(4-bromo-2-fluorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126415456
N-(4-bromo-2-fluorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168021
N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126320797
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 126258649) is N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is BZMLIGZYPMBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O4S/c1-3-25-16-7-5-4-6-15(16)21(26(2,23)24)11-17(22)20-14-9-8-12(18)10-13(14)19/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 445.31 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126258649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).