N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide

C15H13BrFNOS — CID 103274665

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H13BrFNOS/c1-10-7-13(17)12(16)8-14(10)18-15(19)9-20-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLVHVYKHRFGYDEJ-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.63
Rot. Bonds4

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide (PubChem CID 103274665) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
PubChem CID103274665
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H13BrFNOS/c1-10-7-13(17)12(16)8-14(10)18-15(19)9-20-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLVHVYKHRFGYDEJ-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide
CID 167825999
2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 7924484
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide
CID 103274908
N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055699
2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107590864

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide (CID 103274665) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide is Cc1cc(F)c(Br)cc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is LVHVYKHRFGYDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c1-10-7-13(17)12(16)8-14(10)18-15(19)9-20-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 354.24 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 103274665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).