N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide

C14H11BrFNOS — CID 107604233

IUPACN-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1c(F)cccc1Br
InChIInChI=1S/C14H11BrFNOS/c15-11-2-1-3-12(16)14(11)17-13(18)8-9-4-6-10(19)7-5-9/h1-7,19H,8H2,(H,17,18)
InChIKeyVGEICXJWJSPASY-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.06
Rot. Bonds3

About N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide

N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107604233) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107604233
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC NameN-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1c(F)cccc1Br
InChIInChI=1S/C14H11BrFNOS/c15-11-2-1-3-12(16)14(11)17-13(18)8-9-4-6-10(19)7-5-9/h1-7,19H,8H2,(H,17,18)
InChIKeyVGEICXJWJSPASY-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 107600467
N-(2-chloro-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107036138
N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107638371
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
5-amino-N-(2-bromo-6-fluorophenyl)pentanamide
CID 107599895
3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
CID 107599929
N-(2-bromo-6-fluorophenyl)-2-ethoxyacetamide
CID 71859325
2-(4-cyanophenyl)-N-(2,6-difluorophenyl)acetamide
CID 62403831
4-(2-bromo-6-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 103740790
3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide
CID 107599852
3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 81497920
N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033961

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide (CID 107604233) is N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide is O=C(Cc1ccc(S)cc1)Nc1c(F)cccc1Br.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is VGEICXJWJSPASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c15-11-2-1-3-12(16)14(11)17-13(18)8-9-4-6-10(19)7-5-9/h1-7,19H,8H2,(H,17,18).
What are the key properties of N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide?
N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 340.22 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107604233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).