dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate

C37H35BrCl2F2I2K2N4O9S — CID 158936788

IUPACdipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate
SMILESISI.O=CO[O-].Oc1ccc(Cl)c(F)c1.[C-]#[N+]c1ccc(NC(=O)[C@@](C)(O)CBr)cc1C.[C-]#[N+]c1ccc(NC(=O)[C@@](C)(O)COc2ccc(Cl)c(F)c2)cc1C.[H-].[K+].[K+]
InChIInChI=1S/C18H16ClFN2O3.C12H13BrN2O2.C6H4ClFO.CH2O3.I2S.2K.H/c1-11-8-12(4-7-16(11)21-3)22-17(23)18(2,24)10-25-13-5-6-14(19)15(20)9-13;1-8-6-9(4-5-10(8)14-3)15-11(16)12(2,17)7-13;7-5-2-1-4(9)3-6(5)8;2-1-4-3;1-3-2;;;/h4-9,24H,10H2,1-2H3,(H,22,23);4-6,17H,7H2,1-2H3,(H,15,16);1-3,9H;1,3H;;;;/q;;;;;2*+1;-1/p-1/t18-;12-;;;;;;/m00....../s1
InChIKeyIIGLEWFJESHGFQ-FNUAVNSDSA-M
MW1232.58 g/mol
LogP3.90
Rot. Bonds9

About dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate

dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate (PubChem CID 158936788) has the molecular formula C37H35BrCl2F2I2K2N4O9S and a molecular weight of 1232.58 g/mol. Its IUPAC name is dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate.

Molecular Properties

Compound Namedipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate
PubChem CID158936788
Molecular FormulaC37H35BrCl2F2I2K2N4O9S
Molecular Weight1232.58 g/mol
Exact Mass1229.80
IUPAC Namedipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate
SMILESISI.O=CO[O-].Oc1ccc(Cl)c(F)c1.[C-]#[N+]c1ccc(NC(=O)[C@@](C)(O)CBr)cc1C.[C-]#[N+]c1ccc(NC(=O)[C@@](C)(O)COc2ccc(Cl)c(F)c2)cc1C.[H-].[K+].[K+]
InChIInChI=1S/C18H16ClFN2O3.C12H13BrN2O2.C6H4ClFO.CH2O3.I2S.2K.H/c1-11-8-12(4-7-16(11)21-3)22-17(23)18(2,24)10-25-13-5-6-14(19)15(20)9-13;1-8-6-9(4-5-10(8)14-3)15-11(16)12(2,17)7-13;7-5-2-1-4(9)3-6(5)8;2-1-4-3;1-3-2;;;/h4-9,24H,10H2,1-2H3,(H,22,23);4-6,17H,7H2,1-2H3,(H,15,16);1-3,9H;1,3H;;;;/q;;;;;2*+1;-1/p-1/t18-;12-;;;;;;/m00....../s1
InChIKeyIIGLEWFJESHGFQ-FNUAVNSDSA-M
XLogP3.90
TPSA186.20 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001232.58
LogP ≤ 53.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate with MolForge

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Related Compounds

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
(2S)-N-(3-chloro-4-isocyanophenyl)-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide;tris((2S)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methyl-3-(4-methylphenoxy)propanamide);(2S)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)-3-(4-methylphenoxy)propanamide
CID 158001861
(2S)-N-(3-chloro-4-(113C)methylidyne(15N)azaniumylphenyl)-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide
CID 59140709
(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 58619258
(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid;bis((2R)-3-bromo-2-hydroxy-2-methylpropanoyl chloride);4-isocyano-3-methylaniline
CID 162172591
cesium;(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;methane;oxido formate;oxolane
CID 162093360
(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
CID 58619244
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(113C)methylidyne(15N)azaniumyl-3-(trifluoromethyl)phenyl]propanamide
CID 59140696
(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 58619254
(2R)-3-(4-chlorophenoxy)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide
CID 11979027
3-(benzenesulfinyl)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide
CID 163515768

Frequently Asked Questions

What is the IUPAC name of dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate?
The IUPAC name of dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate (CID 158936788) is dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate.
What is the SMILES notation for dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate?
The canonical SMILES for dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate is ISI.O=CO[O-].Oc1ccc(Cl)c(F)c1.[C-]#[N+]c1ccc(NC(=O)[C@@](C)(O)CBr)cc1C.[C-]#[N+]c1ccc(NC(=O)[C@@](C)(O)COc2ccc(Cl)c(F)c2)cc1C.[H-].[K+].[K+].
What is the InChIKey of dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate?
The InChIKey is IIGLEWFJESHGFQ-FNUAVNSDSA-M. The full InChI is InChI=1S/C18H16ClFN2O3.C12H13BrN2O2.C6H4ClFO.CH2O3.I2S.2K.H/c1-11-8-12(4-7-16(11)21-3)22-17(23)18(2,24)10-25-13-5-6-14(19)15(20)9-13;1-8-6-9(4-5-10(8)14-3)15-11(16)12(2,17)7-13;7-5-2-1-4(9)3-6(5)8;2-1-4-3;1-3-2;;;/h4-9,24H,10H2,1-2H3,(H,22,23);4-6,17H,7H2,1-2H3,(H,15,16);1-3,9H;1,3H;;;;/q;;;;;2*+1;-1/p-1/t18-;12-;;;;;;/m00....../s1.
What are the key properties of dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate?
dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate has a molecular weight of 1232.58 g/mol, XLogP of 3.90, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;4-chloro-3-fluorophenol;(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;hydride;iodo thiohypoiodite;oxido formate is sourced from PubChem (CID 158936788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).