sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate

C17H14F2NNaO3 — CID 135624084

IUPACsodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate
SMILESO=C([O-])CCC/N=C(\c1ccc(F)cc1)c1cc(F)ccc1O.[Na+]
InChIInChI=1S/C17H15F2NO3.Na/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21;/h3-8,10,21H,1-2,9H2,(H,22,23);/q;+1/p-1/b20-17+;
InChIKeyGHDYMFXPHVYHKB-SJEOTZHBSA-M
MW341.29 g/mol
LogP-0.96
Rot. Bonds6

About sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate

sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate (PubChem CID 135624084) has the molecular formula C17H14F2NNaO3 and a molecular weight of 341.29 g/mol. Its IUPAC name is sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate.

Molecular Properties

Compound Namesodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate
PubChem CID135624084
Molecular FormulaC17H14F2NNaO3
Molecular Weight341.29 g/mol
Exact Mass341.08
IUPAC Namesodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate
SMILESO=C([O-])CCC/N=C(\c1ccc(F)cc1)c1cc(F)ccc1O.[Na+]
InChIInChI=1S/C17H15F2NO3.Na/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21;/h3-8,10,21H,1-2,9H2,(H,22,23);/q;+1/p-1/b20-17+;
InChIKeyGHDYMFXPHVYHKB-SJEOTZHBSA-M
XLogP-0.96
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide
CID 3046782
sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate
CID 135624088
sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate
CID 135770205
2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol
CID 3029854
4-fluoro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 138548283
4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 137013229
(4-aminophenyl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 95425026
4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid
CID 3025647
4-(5-fluoro-2-hydroxybenzoyl)benzamide
CID 142582973
1-(5-fluoro-2-hydroxyphenyl)octan-1-one
CID 86007473
4-fluorophthalate
CID 36688510
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223

Frequently Asked Questions

What is the IUPAC name of sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate?
The IUPAC name of sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate (CID 135624084) is sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate.
What is the SMILES notation for sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate?
The canonical SMILES for sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate is O=C([O-])CCC/N=C(\c1ccc(F)cc1)c1cc(F)ccc1O.[Na+].
What is the InChIKey of sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate?
The InChIKey is GHDYMFXPHVYHKB-SJEOTZHBSA-M. The full InChI is InChI=1S/C17H15F2NO3.Na/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21;/h3-8,10,21H,1-2,9H2,(H,22,23);/q;+1/p-1/b20-17+;.
What are the key properties of sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate?
sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate has a molecular weight of 341.29 g/mol, XLogP of -0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate is sourced from PubChem (CID 135624084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).