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

C17H15FNNaO3 — CID 135624088

IUPACsodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate
SMILESO=C([O-])CCC/N=C(/c1ccccc1O)c1ccccc1F.[Na+]
InChIInChI=1S/C17H16FNO3.Na/c18-14-8-3-1-6-12(14)17(19-11-5-10-16(21)22)13-7-2-4-9-15(13)20;/h1-4,6-9,20H,5,10-11H2,(H,21,22);/q;+1/p-1/b19-17+;
InChIKeyFYPAEEJDPVDSPK-ZJSKVYKZSA-M
MW323.30 g/mol
LogP-1.10
Rot. Bonds6

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

sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate (PubChem CID 135624088) has the molecular formula C17H15FNNaO3 and a molecular weight of 323.30 g/mol. Its IUPAC name is sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate.

Molecular Properties

Compound Namesodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate
PubChem CID135624088
Molecular FormulaC17H15FNNaO3
Molecular Weight323.30 g/mol
Exact Mass323.09
IUPAC Namesodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate
SMILESO=C([O-])CCC/N=C(/c1ccccc1O)c1ccccc1F.[Na+]
InChIInChI=1S/C17H16FNO3.Na/c18-14-8-3-1-6-12(14)17(19-11-5-10-16(21)22)13-7-2-4-9-15(13)20;/h1-4,6-9,20H,5,10-11H2,(H,21,22);/q;+1/p-1/b19-17+;
InChIKeyFYPAEEJDPVDSPK-ZJSKVYKZSA-M
XLogP-1.10
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 5-1.10
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

sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate
CID 135770205
sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate
CID 135624084
disodium;10-(2-hydroxyphenyl)-10-oxodecanoate;12-(2-hydroxyphenyl)-12-oxododecanoate;sulfane
CID 158243902
10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506
azanium 8-[(2-hydroxybenzoyl)amino]octanoate
CID 171364107
sodium 3-[3-fluoro-4-(2-hydroxybenzoyl)phenyl]propanoate
CID 139951715
4-[[(2-chlorophenyl)-(2-hydroxy-5-methylphenyl)methylidene]amino]butanoic acid
CID 3046774
sodium 8-[2-(2-hydroxybenzoyl)hydrazinyl]octanoate
CID 171775960
lithium 2-fluorobenzoate
CID 19205780
4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide
CID 3046782
sodium 3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoate
CID 23700526
2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol
CID 136636012

Frequently Asked Questions

What is the IUPAC name of sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate?
The IUPAC name of sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate (CID 135624088) is sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate.
What is the SMILES notation for sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate?
The canonical SMILES for sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate is O=C([O-])CCC/N=C(/c1ccccc1O)c1ccccc1F.[Na+].
What is the InChIKey of sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate?
The InChIKey is FYPAEEJDPVDSPK-ZJSKVYKZSA-M. The full InChI is InChI=1S/C17H16FNO3.Na/c18-14-8-3-1-6-12(14)17(19-11-5-10-16(21)22)13-7-2-4-9-15(13)20;/h1-4,6-9,20H,5,10-11H2,(H,21,22);/q;+1/p-1/b19-17+;.
What are the key properties of sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate?
sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate has a molecular weight of 323.30 g/mol, XLogP of -1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate is sourced from PubChem (CID 135624088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).