N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide

C14H11BrFNOS — CID 2591716

IUPACN-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1ccc(Br)cc1
InChIInChI=1S/C14H11BrFNOS/c15-10-5-7-11(8-6-10)17-14(18)9-19-13-4-2-1-3-12(13)16/h1-8H,9H2,(H,17,18)
InChIKeyAQUNOOFSYVNXRR-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.32
Rot. Bonds4

About N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide

N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 2591716) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID2591716
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC NameN-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1ccc(Br)cc1
InChIInChI=1S/C14H11BrFNOS/c15-10-5-7-11(8-6-10)17-14(18)9-19-13-4-2-1-3-12(13)16/h1-8H,9H2,(H,17,18)
InChIKeyAQUNOOFSYVNXRR-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 7965036
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778
N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 3285131
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 2591716) is N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is AQUNOOFSYVNXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c15-10-5-7-11(8-6-10)17-14(18)9-19-13-4-2-1-3-12(13)16/h1-8H,9H2,(H,17,18).
What are the key properties of N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 340.22 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2591716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).