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

C17H17FINO3 — CID 58619244

IUPAC(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
SMILESCc1cc(NC(=O)[C@@](C)(O)COc2ccc(F)cc2)ccc1I
InChIInChI=1S/C17H17FINO3/c1-11-9-13(5-8-15(11)19)20-16(21)17(2,22)10-23-14-6-3-12(18)4-7-14/h3-9,22H,10H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyIKILPEXLMHWAHA-KRWDZBQOSA-N
MW429.23 g/mol
LogP3.51
Rot. Bonds5

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

(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide (PubChem CID 58619244) has the molecular formula C17H17FINO3 and a molecular weight of 429.23 g/mol. Its IUPAC name is (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
PubChem CID58619244
Molecular FormulaC17H17FINO3
Molecular Weight429.23 g/mol
Exact Mass429.02
IUPAC Name(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
SMILESCc1cc(NC(=O)[C@@](C)(O)COc2ccc(F)cc2)ccc1I
InChIInChI=1S/C17H17FINO3/c1-11-9-13(5-8-15(11)19)20-16(21)17(2,22)10-23-14-6-3-12(18)4-7-14/h3-9,22H,10H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyIKILPEXLMHWAHA-KRWDZBQOSA-N
XLogP3.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.23
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methyl-3-(4-methylphenoxy)propanamide
CID 58592438
(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 58619254
(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
(2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide
CID 59129777
2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 23572084
(2S)-N-(4-cyano-3-iodophenyl)-2-hydroxy-3-(4-iodophenoxy)-2-methylpropanamide
CID 11786138
(2S)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methyl-3-phenoxypropanamide
CID 157266383
3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide
CID 143036854

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide?
The IUPAC name of (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide (CID 58619244) is (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide?
The canonical SMILES for (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide is Cc1cc(NC(=O)[C@@](C)(O)COc2ccc(F)cc2)ccc1I.
What is the InChIKey of (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide?
The InChIKey is IKILPEXLMHWAHA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17FINO3/c1-11-9-13(5-8-15(11)19)20-16(21)17(2,22)10-23-14-6-3-12(18)4-7-14/h3-9,22H,10H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide?
(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide has a molecular weight of 429.23 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 58619244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).