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

C18H16FNO5 — CID 7796353

IUPACmethyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H16FNO5/c1-24-18(23)12-6-8-14(9-7-12)20-16(21)11-25-17(22)10-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyMKKYTAMQSFYIAQ-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.34
Rot. Bonds6

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

methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7796353) has the molecular formula C18H16FNO5 and a molecular weight of 345.33 g/mol. Its IUPAC name is methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
PubChem CID7796353
Molecular FormulaC18H16FNO5
Molecular Weight345.33 g/mol
Exact Mass345.10
IUPAC Namemethyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H16FNO5/c1-24-18(23)12-6-8-14(9-7-12)20-16(21)11-25-17(22)10-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyMKKYTAMQSFYIAQ-UHFFFAOYSA-N
XLogP2.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544721
methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999954
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544790
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7750430
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 9485168
(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035142
methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687
methyl 4-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 7764445
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
CID 8551955
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate (CID 7796353) is methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)Cc2ccccc2F)cc1.
What is the InChIKey of methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is MKKYTAMQSFYIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO5/c1-24-18(23)12-6-8-14(9-7-12)20-16(21)11-25-17(22)10-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate?
methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 345.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7796353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).