2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide

C15H13BrFNOS — CID 2109491

IUPAC2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H13BrFNOS/c16-12-3-7-14(8-4-12)20-10-15(19)18-9-11-1-5-13(17)6-2-11/h1-8H,9-10H2,(H,18,19)
InChIKeyLDNHYRFPJMGRDC-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide

2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2109491) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2109491
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C15H13BrFNOS/c16-12-3-7-14(8-4-12)20-10-15(19)18-9-11-1-5-13(17)6-2-11/h1-8H,9-10H2,(H,18,19)
InChIKeyLDNHYRFPJMGRDC-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide (CID 2109491) is 2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide is O=C(CSc1ccc(Br)cc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is LDNHYRFPJMGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-12-3-7-14(8-4-12)20-10-15(19)18-9-11-1-5-13(17)6-2-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 354.24 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2109491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).