ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate

C20H19FN2O6 — CID 7878232

IUPACethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O6/c1-2-28-20(27)15-5-3-4-6-16(15)23-17(24)12-29-18(25)11-22-19(26)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3,(H,22,26)(H,23,24)
InChIKeyJQXQSKJXBNRAKY-UHFFFAOYSA-N
MW402.38 g/mol
LogP1.91
Rot. Bonds8

About ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate

ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate (PubChem CID 7878232) has the molecular formula C20H19FN2O6 and a molecular weight of 402.38 g/mol. Its IUPAC name is ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
PubChem CID7878232
Molecular FormulaC20H19FN2O6
Molecular Weight402.38 g/mol
Exact Mass402.12
IUPAC Nameethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O6/c1-2-28-20(27)15-5-3-4-6-16(15)23-17(24)12-29-18(25)11-22-19(26)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3,(H,22,26)(H,23,24)
InChIKeyJQXQSKJXBNRAKY-UHFFFAOYSA-N
XLogP1.91
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate 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

ethyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 16533021
ethyl 2-[[2-[2-[(3,4-dimethylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 7885385
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 4999273
ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7791717
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877735
ethyl 2-[[2-(3,3-dimethylbutanoyloxy)acetyl]amino]benzoate
CID 2348289
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878170
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate
CID 110298164
methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 2390831
ethyl 2-[[2-[4-(4-methylphenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 24979171
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 35653450

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate (CID 7878232) is ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate?
The InChIKey is JQXQSKJXBNRAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O6/c1-2-28-20(27)15-5-3-4-6-16(15)23-17(24)12-29-18(25)11-22-19(26)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3,(H,22,26)(H,23,24).
What are the key properties of ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate?
ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate has a molecular weight of 402.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7878232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).