N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide

C16H12BrF3N2O2S — CID 52851677

IUPACN-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H12BrF3N2O2S/c1-9(23)21-13-7-4-11(17)8-14(13)22-15(24)10-2-5-12(6-3-10)25-16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyNPJSTQMJUFMUDI-UHFFFAOYSA-N
MW433.25 g/mol
LogP5.27
Rot. Bonds4

About N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide

N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 52851677) has the molecular formula C16H12BrF3N2O2S and a molecular weight of 433.25 g/mol. Its IUPAC name is N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID52851677
Molecular FormulaC16H12BrF3N2O2S
Molecular Weight433.25 g/mol
Exact Mass431.98
IUPAC NameN-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H12BrF3N2O2S/c1-9(23)21-13-7-4-11(17)8-14(13)22-15(24)10-2-5-12(6-3-10)25-16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyNPJSTQMJUFMUDI-UHFFFAOYSA-N
XLogP5.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.25
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid
CID 67418412
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamate
CID 67291019
N-(3-acetamido-4-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24666765
N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 26705416
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
4-chloro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid
CID 45341431
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide
CID 55786011
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
N-(5-bromo-2-cyanophenyl)-4-methylsulfanylbenzamide
CID 104880146
4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide (CID 52851677) is N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide is CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is NPJSTQMJUFMUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O2S/c1-9(23)21-13-7-4-11(17)8-14(13)22-15(24)10-2-5-12(6-3-10)25-16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide?
N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 433.25 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 52851677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).