sodium 4-(5-fluorooctanoylamino)benzoate

C15H19FNNaO3 — CID 101304583

IUPACsodium 4-(5-fluorooctanoylamino)benzoate
SMILESCCCC(F)CCCC(=O)Nc1ccc(C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C15H20FNO3.Na/c1-2-4-12(16)5-3-6-14(18)17-13-9-7-11(8-10-13)15(19)20;/h7-10,12H,2-6H2,1H3,(H,17,18)(H,19,20);/q;+1/p-1
InChIKeyGVDXSGWAYNGPGX-UHFFFAOYSA-M
MW303.31 g/mol
LogP-0.70
Rot. Bonds8

About sodium 4-(5-fluorooctanoylamino)benzoate

sodium 4-(5-fluorooctanoylamino)benzoate (PubChem CID 101304583) has the molecular formula C15H19FNNaO3 and a molecular weight of 303.31 g/mol. Its IUPAC name is sodium 4-(5-fluorooctanoylamino)benzoate.

Molecular Properties

Compound Namesodium 4-(5-fluorooctanoylamino)benzoate
PubChem CID101304583
Molecular FormulaC15H19FNNaO3
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC Namesodium 4-(5-fluorooctanoylamino)benzoate
SMILESCCCC(F)CCCC(=O)Nc1ccc(C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C15H20FNO3.Na/c1-2-4-12(16)5-3-6-14(18)17-13-9-7-11(8-10-13)15(19)20;/h7-10,12H,2-6H2,1H3,(H,17,18)(H,19,20);/q;+1/p-1
InChIKeyGVDXSGWAYNGPGX-UHFFFAOYSA-M
XLogP-0.70
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 4-(5-fluoroheptanoylamino)benzoate
CID 101304571
sodium 4-(3-fluorodecanoylamino)benzoate
CID 101304609
sodium 4-(8-fluorooctanoylamino)benzoate
CID 101304589
4-(4-carboxylatohexanoylamino)benzoate
CID 3275763
4-(3-carboxylatopropanoylamino)benzoate
CID 4170871
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023
4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 7318150
4-(pentylamino)benzoate
CID 53422656
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane
CID 143185274

Frequently Asked Questions

What is the IUPAC name of sodium 4-(5-fluorooctanoylamino)benzoate?
The IUPAC name of sodium 4-(5-fluorooctanoylamino)benzoate (CID 101304583) is sodium 4-(5-fluorooctanoylamino)benzoate.
What is the SMILES notation for sodium 4-(5-fluorooctanoylamino)benzoate?
The canonical SMILES for sodium 4-(5-fluorooctanoylamino)benzoate is CCCC(F)CCCC(=O)Nc1ccc(C(=O)[O-])cc1.[Na+].
What is the InChIKey of sodium 4-(5-fluorooctanoylamino)benzoate?
The InChIKey is GVDXSGWAYNGPGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20FNO3.Na/c1-2-4-12(16)5-3-6-14(18)17-13-9-7-11(8-10-13)15(19)20;/h7-10,12H,2-6H2,1H3,(H,17,18)(H,19,20);/q;+1/p-1.
What are the key properties of sodium 4-(5-fluorooctanoylamino)benzoate?
sodium 4-(5-fluorooctanoylamino)benzoate has a molecular weight of 303.31 g/mol, XLogP of -0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(5-fluorooctanoylamino)benzoate is sourced from PubChem (CID 101304583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).