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

C14H10BrF2NOS — CID 16520358

IUPACN-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrF2NOS/c15-9-5-6-12(11(17)7-9)18-14(19)8-20-13-4-2-1-3-10(13)16/h1-7H,8H2,(H,18,19)
InChIKeyYVUBJSJHLYUMKI-UHFFFAOYSA-N
MW358.21 g/mol
LogP4.46
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 16520358) has the molecular formula C14H10BrF2NOS and a molecular weight of 358.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID16520358
Molecular FormulaC14H10BrF2NOS
Molecular Weight358.21 g/mol
Exact Mass356.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrF2NOS/c15-9-5-6-12(11(17)7-9)18-14(19)8-20-13-4-2-1-3-10(13)16/h1-7H,8H2,(H,18,19)
InChIKeyYVUBJSJHLYUMKI-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
N-(4-bromo-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2351076
2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
CID 43305964
N-(4-bromo-2-fluorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 4318099
N-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 23097520
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16541604
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 79129889
N-(4-bromo-2-fluorophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244444
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 16520358) is N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is YVUBJSJHLYUMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NOS/c15-9-5-6-12(11(17)7-9)18-14(19)8-20-13-4-2-1-3-10(13)16/h1-7H,8H2,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 358.21 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 16520358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).