methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate

C20H18FNO6 — CID 2390831

IUPACmethyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H18FNO6/c1-27-20(26)15-4-2-3-5-16(15)22-18(24)12-28-19(25)11-10-17(23)13-6-8-14(21)9-7-13/h2-9H,10-12H2,1H3,(H,22,24)
InChIKeyWIYWFXUNLAIBAK-UHFFFAOYSA-N
MW387.36 g/mol
LogP2.76
Rot. Bonds8

About methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate

methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate (PubChem CID 2390831) has the molecular formula C20H18FNO6 and a molecular weight of 387.36 g/mol. Its IUPAC name is methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
PubChem CID2390831
Molecular FormulaC20H18FNO6
Molecular Weight387.36 g/mol
Exact Mass387.11
IUPAC Namemethyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H18FNO6/c1-27-20(26)15-4-2-3-5-16(15)22-18(24)12-28-19(25)11-10-17(23)13-6-8-14(21)9-7-13/h2-9H,10-12H2,1H3,(H,22,24)
InChIKeyWIYWFXUNLAIBAK-UHFFFAOYSA-N
XLogP2.76
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[2-[4-(4-methylphenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 24979171
methyl 4-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 7764445
methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848385
[2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
CID 2420330
ethyl 2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]benzoate
CID 110298164
methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 7871156
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 35564457
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 4999273
ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 7878232
[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8552631
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate (CID 2390831) is methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate?
The InChIKey is WIYWFXUNLAIBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO6/c1-27-20(26)15-4-2-3-5-16(15)22-18(24)12-28-19(25)11-10-17(23)13-6-8-14(21)9-7-13/h2-9H,10-12H2,1H3,(H,22,24).
What are the key properties of methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate?
methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate has a molecular weight of 387.36 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 2390831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).