propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate

C20H20ClNO6 — CID 7750523

IUPACpropan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClNO6/c1-13(2)28-20(25)14-3-7-16(8-4-14)22-18(23)11-27-19(24)12-26-17-9-5-15(21)6-10-17/h3-10,13H,11-12H2,1-2H3,(H,22,23)
InChIKeyLDAFKSQIZYXXAA-UHFFFAOYSA-N
MW405.83 g/mol
LogP3.47
Rot. Bonds8

About propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate

propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7750523) has the molecular formula C20H20ClNO6 and a molecular weight of 405.83 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
PubChem CID7750523
Molecular FormulaC20H20ClNO6
Molecular Weight405.83 g/mol
Exact Mass405.10
IUPAC Namepropan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClNO6/c1-13(2)28-20(25)14-3-7-16(8-4-14)22-18(23)11-27-19(24)12-26-17-9-5-15(21)6-10-17/h3-10,13H,11-12H2,1-2H3,(H,22,23)
InChIKeyLDAFKSQIZYXXAA-UHFFFAOYSA-N
XLogP3.47
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
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

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579572
propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172386
methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 71822939
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750963
propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 26716884
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate (CID 7750523) is propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is LDAFKSQIZYXXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO6/c1-13(2)28-20(25)14-3-7-16(8-4-14)22-18(23)11-27-19(24)12-26-17-9-5-15(21)6-10-17/h3-10,13H,11-12H2,1-2H3,(H,22,23).
What are the key properties of propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate?
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 405.83 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7750523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).