octyl 2-[(2-fluorobenzoyl)amino]acetate

C17H24FNO3 — CID 6422546

IUPACoctyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESCCCCCCCCOC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C17H24FNO3/c1-2-3-4-5-6-9-12-22-16(20)13-19-17(21)14-10-7-8-11-15(14)18/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,19,21)
InChIKeyXKGOMUDDYAUXTL-UHFFFAOYSA-N
MW309.38 g/mol
LogP3.46
Rot. Bonds10

About octyl 2-[(2-fluorobenzoyl)amino]acetate

octyl 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 6422546) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is octyl 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Nameoctyl 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID6422546
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nameoctyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESCCCCCCCCOC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C17H24FNO3/c1-2-3-4-5-6-9-12-22-16(20)13-19-17(21)14-10-7-8-11-15(14)18/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,19,21)
InChIKeyXKGOMUDDYAUXTL-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze octyl 2-[(2-fluorobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
heptyl 2-[[2-(trifluoromethyl)benzoyl]amino]acetate
CID 6424754
tridecyl 2-fluorobenzoate
CID 579690
2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24540215
decyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711916
[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885788
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
decyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716594
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225

Frequently Asked Questions

What is the IUPAC name of octyl 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of octyl 2-[(2-fluorobenzoyl)amino]acetate (CID 6422546) is octyl 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for octyl 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for octyl 2-[(2-fluorobenzoyl)amino]acetate is CCCCCCCCOC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of octyl 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is XKGOMUDDYAUXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-2-3-4-5-6-9-12-22-16(20)13-19-17(21)14-10-7-8-11-15(14)18/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,19,21).
What are the key properties of octyl 2-[(2-fluorobenzoyl)amino]acetate?
octyl 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 309.38 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 6422546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).