decyl 2-[(2-fluorobenzoyl)-methylamino]acetate

C20H30FNO3 — CID 91711916

IUPACdecyl 2-[(2-fluorobenzoyl)-methylamino]acetate
SMILESCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1F
InChIInChI=1S/C20H30FNO3/c1-3-4-5-6-7-8-9-12-15-25-19(23)16-22(2)20(24)17-13-10-11-14-18(17)21/h10-11,13-14H,3-9,12,15-16H2,1-2H3
InChIKeyGQFJOLDNCFKLEE-UHFFFAOYSA-N
MW351.46 g/mol
LogP4.58
Rot. Bonds12

About decyl 2-[(2-fluorobenzoyl)-methylamino]acetate

decyl 2-[(2-fluorobenzoyl)-methylamino]acetate (PubChem CID 91711916) has the molecular formula C20H30FNO3 and a molecular weight of 351.46 g/mol. Its IUPAC name is decyl 2-[(2-fluorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namedecyl 2-[(2-fluorobenzoyl)-methylamino]acetate
PubChem CID91711916
Molecular FormulaC20H30FNO3
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Namedecyl 2-[(2-fluorobenzoyl)-methylamino]acetate
SMILESCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1F
InChIInChI=1S/C20H30FNO3/c1-3-4-5-6-7-8-9-12-15-25-19(23)16-22(2)20(24)17-13-10-11-14-18(17)21/h10-11,13-14H,3-9,12,15-16H2,1-2H3
InChIKeyGQFJOLDNCFKLEE-UHFFFAOYSA-N
XLogP4.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711904
octyl 2-[(2-chlorobenzoyl)-methylamino]acetate
CID 91716463
pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 91715427
pentyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
CID 91722124
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
tridecyl 2-fluorobenzoate
CID 579690
decyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716470
heptyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716467
pentyl 2-[(3-fluorobenzoyl)-methylamino]acetate
CID 91711909

Frequently Asked Questions

What is the IUPAC name of decyl 2-[(2-fluorobenzoyl)-methylamino]acetate?
The IUPAC name of decyl 2-[(2-fluorobenzoyl)-methylamino]acetate (CID 91711916) is decyl 2-[(2-fluorobenzoyl)-methylamino]acetate.
What is the SMILES notation for decyl 2-[(2-fluorobenzoyl)-methylamino]acetate?
The canonical SMILES for decyl 2-[(2-fluorobenzoyl)-methylamino]acetate is CCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1F.
What is the InChIKey of decyl 2-[(2-fluorobenzoyl)-methylamino]acetate?
The InChIKey is GQFJOLDNCFKLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO3/c1-3-4-5-6-7-8-9-12-15-25-19(23)16-22(2)20(24)17-13-10-11-14-18(17)21/h10-11,13-14H,3-9,12,15-16H2,1-2H3.
What are the key properties of decyl 2-[(2-fluorobenzoyl)-methylamino]acetate?
decyl 2-[(2-fluorobenzoyl)-methylamino]acetate has a molecular weight of 351.46 g/mol, XLogP of 4.58, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[(2-fluorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 91711916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).