(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide

C10H11BrF5NO2S — CID 166441361

IUPAC(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
SMILESC[C@](O)(CBr)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C10H11BrF5NO2S/c1-10(19,6-11)9(18)17-7-2-4-8(5-3-7)20(12,13,14,15)16/h2-5,19H,6H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyJFLFZRXWTVIMQL-JTQLQIEISA-N
MW384.16 g/mol
LogP4.43
Rot. Bonds4

About (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide

(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide (PubChem CID 166441361) has the molecular formula C10H11BrF5NO2S and a molecular weight of 384.16 g/mol. Its IUPAC name is (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
PubChem CID166441361
Molecular FormulaC10H11BrF5NO2S
Molecular Weight384.16 g/mol
Exact Mass382.96
IUPAC Name(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
SMILESC[C@](O)(CBr)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C10H11BrF5NO2S/c1-10(19,6-11)9(18)17-7-2-4-8(5-3-7)20(12,13,14,15)16/h2-5,19H,6H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyJFLFZRXWTVIMQL-JTQLQIEISA-N
XLogP4.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.16
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
CID 155532276
2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylpropanamide
CID 155555133
2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967
(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 58619258
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(113C)methylidyne(15N)azaniumyl-3-(trifluoromethyl)phenyl]propanamide
CID 59140696
(2R)-3-bromo-N-(4-cyano-3-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 167451822
2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfanylpropanamide
CID 155518740
methyl 5-[(3-bromo-2-hydroxy-2-methylpropanoyl)amino]-2-cyanobenzoate
CID 68958667
2-hydroxy-2-methyl-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylpropanamide
CID 155563219
(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide;(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide;N-(4-hydroxyphenyl)acetamide;vanadium
CID 161424128
tert-butyl 2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 155819065
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527

Frequently Asked Questions

What is the IUPAC name of (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide?
The IUPAC name of (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide (CID 166441361) is (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide.
What is the SMILES notation for (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide?
The canonical SMILES for (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide is C[C@](O)(CBr)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide?
The InChIKey is JFLFZRXWTVIMQL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11BrF5NO2S/c1-10(19,6-11)9(18)17-7-2-4-8(5-3-7)20(12,13,14,15)16/h2-5,19H,6H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide?
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide has a molecular weight of 384.16 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide is sourced from PubChem (CID 166441361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).