sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate

C24H29FNNaO3 — CID 135770204

IUPACsodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate
SMILESO=C([O-])CCCCCCCCCC/N=C(\c1ccccc1)c1cc(F)ccc1O.[Na+]
InChIInChI=1S/C24H30FNO3.Na/c25-20-15-16-22(27)21(18-20)24(19-12-8-7-9-13-19)26-17-11-6-4-2-1-3-5-10-14-23(28)29;/h7-9,12-13,15-16,18,27H,1-6,10-11,14,17H2,(H,28,29);/q;+1/p-1/b26-24+;
InChIKeyDGJXSAKYGOVRLY-DVNIKIMTSA-M
MW421.49 g/mol
LogP1.63
Rot. Bonds13

About sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate

sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate (PubChem CID 135770204) has the molecular formula C24H29FNNaO3 and a molecular weight of 421.49 g/mol. Its IUPAC name is sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate.

Molecular Properties

Compound Namesodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate
PubChem CID135770204
Molecular FormulaC24H29FNNaO3
Molecular Weight421.49 g/mol
Exact Mass421.20
IUPAC Namesodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate
SMILESO=C([O-])CCCCCCCCCC/N=C(\c1ccccc1)c1cc(F)ccc1O.[Na+]
InChIInChI=1S/C24H30FNO3.Na/c25-20-15-16-22(27)21(18-20)24(19-12-8-7-9-13-19)26-17-11-6-4-2-1-3-5-10-14-23(28)29;/h7-9,12-13,15-16,18,27H,1-6,10-11,14,17H2,(H,28,29);/q;+1/p-1/b26-24+;
InChIKeyDGJXSAKYGOVRLY-DVNIKIMTSA-M
XLogP1.63
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate?
The IUPAC name of sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate (CID 135770204) is sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate.
What is the SMILES notation for sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate?
The canonical SMILES for sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate is O=C([O-])CCCCCCCCCC/N=C(\c1ccccc1)c1cc(F)ccc1O.[Na+].
What is the InChIKey of sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate?
The InChIKey is DGJXSAKYGOVRLY-DVNIKIMTSA-M. The full InChI is InChI=1S/C24H30FNO3.Na/c25-20-15-16-22(27)21(18-20)24(19-12-8-7-9-13-19)26-17-11-6-4-2-1-3-5-10-14-23(28)29;/h7-9,12-13,15-16,18,27H,1-6,10-11,14,17H2,(H,28,29);/q;+1/p-1/b26-24+;.
What are the key properties of sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate?
sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate has a molecular weight of 421.49 g/mol, XLogP of 1.63, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoate is sourced from PubChem (CID 135770204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).