N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

C17H16BrF3N2O3S — CID 2282025

IUPACN-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1cc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C17H16BrF3N2O3S/c1-11-8-13(6-7-15(11)18)22-16(24)10-23(27(2,25)26)14-5-3-4-12(9-14)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyHBLANHWRUFODDS-UHFFFAOYSA-N
MW465.29 g/mol
LogP4.18
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 2282025) has the molecular formula C17H16BrF3N2O3S and a molecular weight of 465.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID2282025
Molecular FormulaC17H16BrF3N2O3S
Molecular Weight465.29 g/mol
Exact Mass464.00
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1cc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C17H16BrF3N2O3S/c1-11-8-13(6-7-15(11)18)22-16(24)10-23(27(2,25)26)14-5-3-4-12(9-14)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyHBLANHWRUFODDS-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1317874
N-(4-bromo-3-methylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903
N-(4-butylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126310646
N-(3,4-dimethylphenyl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53287006
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1100011
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1336235
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126254845
N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2281663
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-1-ylacetamide
CID 30168878
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoic acid
CID 1265964
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 1337269

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 2282025) is N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is Cc1cc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is HBLANHWRUFODDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2O3S/c1-11-8-13(6-7-15(11)18)22-16(24)10-23(27(2,25)26)14-5-3-4-12(9-14)17(19,20)21/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 465.29 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 2282025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).