(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide

C17H17BrFNO3 — CID 58619254

IUPAC(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
SMILESCc1cc(NC(=O)[C@@](C)(O)COc2ccc(F)cc2)ccc1Br
InChIInChI=1S/C17H17BrFNO3/c1-11-9-13(5-8-15(11)18)20-16(21)17(2,22)10-23-14-6-3-12(19)4-7-14/h3-9,22H,10H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyYYCSOUGRGLJHGR-KRWDZBQOSA-N
MW382.23 g/mol
LogP3.67
Rot. Bonds5

About (2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide

(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide (PubChem CID 58619254) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is (2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
PubChem CID58619254
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC Name(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
SMILESCc1cc(NC(=O)[C@@](C)(O)COc2ccc(F)cc2)ccc1Br
InChIInChI=1S/C17H17BrFNO3/c1-11-9-13(5-8-15(11)18)20-16(21)17(2,22)10-23-14-6-3-12(19)4-7-14/h3-9,22H,10H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyYYCSOUGRGLJHGR-KRWDZBQOSA-N
XLogP3.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
CID 58619244
(2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide
CID 59129777
(2S)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methyl-3-(4-methylphenoxy)propanamide
CID 58592438
(2S)-N-(4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 142885777
(2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitroso-3-(trifluoromethyl)phenyl]propanamide
CID 142885807
2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)-3-[4-(trifluoromethoxy)phenoxy]propanamide
CID 67526286
2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 23572084
dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-fluorophenol;(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;oxido formate
CID 159898600
(2S)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methyl-3-phenoxypropanamide
CID 157266383
(2R)-3-(4-chlorophenoxy)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide
CID 11979027

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide (CID 58619254) is (2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide is Cc1cc(NC(=O)[C@@](C)(O)COc2ccc(F)cc2)ccc1Br.
What is the InChIKey of (2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
The InChIKey is YYCSOUGRGLJHGR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-11-9-13(5-8-15(11)18)20-16(21)17(2,22)10-23-14-6-3-12(19)4-7-14/h3-9,22H,10H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide?
(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide has a molecular weight of 382.23 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 58619254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).