Methyl N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-YL)carbonyl]-beta-alaninate
methyl 3-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]propanoate
Molecular Identity
Methyl N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-YL)carbonyl]-beta-alaninate
methyl 3-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]propanoate
PubChem CID: 25150855
2D Structure
Properties
C17H14F2INO4
Molecular Formula
461.20
Molecular Weight
g/mol
460.9936
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
75.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
482
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)CCNC(=O)C1=C(C(=CC(=C1)C2=C(C=C(C=C2)F)F)I)OIsomeric SMILES
SMILES: COC(=O)CCNC(=O)C1=C(C(=CC(=C1)C2=C(C=C(C=C2)F)F)I)OSynonyms(11)
METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATEmethyl 3-{[5-(2,4-difluorophenyl)-2-hydroxy-3-iodophenyl]formamido}propanoatemethyl 3-((5-(2,4-difluorophenyl)-2-hydroxy-3-iodophenyl)formamido)propanoateMETHYL N-((2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL)-BETA-ALANINATERefChem:817873SCHEMBL23752254DB07962PD004850NS00072714Q27097192IFA
Data from PubChem (NCBI)
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Molecular Structure
Methyl N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-YL)carbonyl]-beta-alaninate
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Drug Network
Trials and conditions connected to Methyl N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-YL)carbonyl]-beta-alaninate
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