diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium

C21H26FN2O4+ — CID 8961515

IUPACdiethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C21H25FN2O4/c1-3-24(4-2)13-14-27-21(26)16-9-11-17(12-10-16)23-20(25)15-28-19-8-6-5-7-18(19)22/h5-12H,3-4,13-15H2,1-2H3,(H,23,25)/p+1
InChIKeyHWKCEECDSNWAHD-UHFFFAOYSA-O
MW389.45 g/mol
LogP1.92
Rot. Bonds10

About diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium

diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium (PubChem CID 8961515) has the molecular formula C21H26FN2O4+ and a molecular weight of 389.45 g/mol. Its IUPAC name is diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
PubChem CID8961515
Molecular FormulaC21H26FN2O4+
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Namediethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C21H25FN2O4/c1-3-24(4-2)13-14-27-21(26)16-9-11-17(12-10-16)23-20(25)15-28-19-8-6-5-7-18(19)22/h5-12H,3-4,13-15H2,1-2H3,(H,23,25)/p+1
InChIKeyHWKCEECDSNWAHD-UHFFFAOYSA-O
XLogP1.92
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961513
2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate
CID 4804285
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140310
diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium
CID 2542662
N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide
CID 7434033
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 8961510
ethyl 4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzoate
CID 2627574
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 87005359
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
3-methylbutyl 4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 985948

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium?
The IUPAC name of diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium (CID 8961515) is diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium.
What is the SMILES notation for diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium?
The canonical SMILES for diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium is CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1.
What is the InChIKey of diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium?
The InChIKey is HWKCEECDSNWAHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25FN2O4/c1-3-24(4-2)13-14-27-21(26)16-9-11-17(12-10-16)23-20(25)15-28-19-8-6-5-7-18(19)22/h5-12H,3-4,13-15H2,1-2H3,(H,23,25)/p+1.
What are the key properties of diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium?
diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium has a molecular weight of 389.45 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium is sourced from PubChem (CID 8961515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).