propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate

C20H20ClNO6 — CID 7803729

IUPACpropyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H20ClNO6/c1-2-10-26-20(25)14-6-8-16(9-7-14)22-18(23)12-28-19(24)13-27-17-5-3-4-15(21)11-17/h3-9,11H,2,10,12-13H2,1H3,(H,22,23)
InChIKeyABFLQHYEKMCOTB-UHFFFAOYSA-N
MW405.83 g/mol
LogP3.47
Rot. Bonds9

About propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate

propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7803729) has the molecular formula C20H20ClNO6 and a molecular weight of 405.83 g/mol. Its IUPAC name is propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
PubChem CID7803729
Molecular FormulaC20H20ClNO6
Molecular Weight405.83 g/mol
Exact Mass405.10
IUPAC Namepropyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H20ClNO6/c1-2-10-26-20(25)14-6-8-16(9-7-14)22-18(23)12-28-19(24)13-27-17-5-3-4-15(21)11-17/h3-9,11H,2,10,12-13H2,1H3,(H,22,23)
InChIKeyABFLQHYEKMCOTB-UHFFFAOYSA-N
XLogP3.47
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

hexyl 4-[[2-(3-chlorophenoxy)acetyl]amino]benzoate
CID 19165925
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 16512644
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
[2-(4-chloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7695103
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803943
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate (CID 7803729) is propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)COC(=O)COc2cccc(Cl)c2)cc1.
What is the InChIKey of propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is ABFLQHYEKMCOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO6/c1-2-10-26-20(25)14-6-8-16(9-7-14)22-18(23)12-28-19(24)13-27-17-5-3-4-15(21)11-17/h3-9,11H,2,10,12-13H2,1H3,(H,22,23).
What are the key properties of propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate?
propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 405.83 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7803729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).