2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

C9H8BrF2NOS — CID 63678703

IUPAC2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CBr)Nc1ccccc1SC(F)F
InChIInChI=1S/C9H8BrF2NOS/c10-5-8(14)13-6-3-1-2-4-7(6)15-9(11)12/h1-4,9H,5H2,(H,13,14)
InChIKeyAAUFSMRGFOLHMJ-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.33
Rot. Bonds4

About 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 63678703) has the molecular formula C9H8BrF2NOS and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID63678703
Molecular FormulaC9H8BrF2NOS
Molecular Weight296.14 g/mol
Exact Mass294.95
IUPAC Name2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CBr)Nc1ccccc1SC(F)F
InChIInChI=1S/C9H8BrF2NOS/c10-5-8(14)13-6-3-1-2-4-7(6)15-9(11)12/h1-4,9H,5H2,(H,13,14)
InChIKeyAAUFSMRGFOLHMJ-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
N-[2-(difluoromethylsulfanyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78910823
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 42000152
N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432184
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide
CID 24510717
N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 43616310
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
CID 112766444
3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
CID 31523997
N-[2-(difluoromethylsulfanyl)phenyl]-3-phenylmethoxypropanamide
CID 60546156
2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 51271632

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (CID 63678703) is 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is O=C(CBr)Nc1ccccc1SC(F)F.
What is the InChIKey of 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is AAUFSMRGFOLHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NOS/c10-5-8(14)13-6-3-1-2-4-7(6)15-9(11)12/h1-4,9H,5H2,(H,13,14).
What are the key properties of 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 296.14 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 63678703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).