5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide

C15H13BrFNOS — CID 47267896

IUPAC5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide
SMILESCCSc1ccccc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNOS/c1-2-20-14-6-4-3-5-13(14)18-15(19)11-9-10(16)7-8-12(11)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyNDVLCRLDUFQSNO-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.95
Rot. Bonds4

About 5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide

5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide (PubChem CID 47267896) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide
PubChem CID47267896
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide
SMILESCCSc1ccccc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNOS/c1-2-20-14-6-4-3-5-13(14)18-15(19)11-9-10(16)7-8-12(11)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyNDVLCRLDUFQSNO-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
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N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733
N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631177
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43041819
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide
CID 47310866
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide
CID 62171530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide (CID 47267896) is 5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide is CCSc1ccccc1NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide?
The InChIKey is NDVLCRLDUFQSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c1-2-20-14-6-4-3-5-13(14)18-15(19)11-9-10(16)7-8-12(11)17/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide?
5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide has a molecular weight of 354.24 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 47267896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).