methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate

C20H20ClNO6 — CID 7951075

IUPACmethyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO6/c1-20(2,28-14-10-8-13(21)9-11-14)19(25)27-12-17(23)22-16-7-5-4-6-15(16)18(24)26-3/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyWIQLMQMTQSKJOO-UHFFFAOYSA-N
MW405.83 g/mol
LogP3.47
Rot. Bonds7

About methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate

methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate (PubChem CID 7951075) has the molecular formula C20H20ClNO6 and a molecular weight of 405.83 g/mol. Its IUPAC name is methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate
PubChem CID7951075
Molecular FormulaC20H20ClNO6
Molecular Weight405.83 g/mol
Exact Mass405.10
IUPAC Namemethyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO6/c1-20(2,28-14-10-8-13(21)9-11-14)19(25)27-12-17(23)22-16-7-5-4-6-15(16)18(24)26-3/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyWIQLMQMTQSKJOO-UHFFFAOYSA-N
XLogP3.47
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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

Analyze methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
CID 888208
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762816
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762705
phenacyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 782046
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 9200072
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762853
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122861
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649189
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate (CID 7951075) is methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate?
The InChIKey is WIQLMQMTQSKJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO6/c1-20(2,28-14-10-8-13(21)9-11-14)19(25)27-12-17(23)22-16-7-5-4-6-15(16)18(24)26-3/h4-11H,12H2,1-3H3,(H,22,23).
What are the key properties of methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate?
methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate has a molecular weight of 405.83 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7951075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).