5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide

C10H8BrF4NOS — CID 113223361

IUPAC5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSC(F)(F)F)c1cc(Br)ccc1F
InChIInChI=1S/C10H8BrF4NOS/c11-6-1-2-8(12)7(5-6)9(17)16-3-4-18-10(13,14)15/h1-2,5H,3-4H2,(H,16,17)
InChIKeyKOFUXZIDIKTFIO-UHFFFAOYSA-N
MW346.14 g/mol
LogP3.57
Rot. Bonds4

About 5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide

5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide (PubChem CID 113223361) has the molecular formula C10H8BrF4NOS and a molecular weight of 346.14 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
PubChem CID113223361
Molecular FormulaC10H8BrF4NOS
Molecular Weight346.14 g/mol
Exact Mass344.94
IUPAC Name5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSC(F)(F)F)c1cc(Br)ccc1F
InChIInChI=1S/C10H8BrF4NOS/c11-6-1-2-8(12)7(5-6)9(17)16-3-4-18-10(13,14)15/h1-2,5H,3-4H2,(H,16,17)
InChIKeyKOFUXZIDIKTFIO-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 43553754
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2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
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N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
CID 76953114
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CID 36909799
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
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5-bromo-N-(4-cyanobutyl)-2-fluorobenzamide
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5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593777
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CID 76947494

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide (CID 113223361) is 5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide is O=C(NCCSC(F)(F)F)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
The InChIKey is KOFUXZIDIKTFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF4NOS/c11-6-1-2-8(12)7(5-6)9(17)16-3-4-18-10(13,14)15/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of 5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide has a molecular weight of 346.14 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 113223361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).