N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide

C15H13BrFNOS — CID 1295021

IUPACN-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H13BrFNOS/c16-11-6-7-14(13(17)10-11)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyHQEOUQTYWQBLAC-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.71
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide

N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide (PubChem CID 1295021) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide
PubChem CID1295021
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H13BrFNOS/c16-11-6-7-14(13(17)10-11)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyHQEOUQTYWQBLAC-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide (CID 1295021) is N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide?
The InChIKey is HQEOUQTYWQBLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-11-6-7-14(13(17)10-11)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide?
N-(4-bromo-2-fluorophenyl)-3-phenylsulfanylpropanamide has a molecular weight of 354.24 g/mol, XLogP of 4.71, 5 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)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 1295021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).