methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate

C19H18ClNO6 — CID 7570532

IUPACmethyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)COc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C19H18ClNO6/c1-12-3-8-15(20)16(9-12)26-11-18(23)27-10-17(22)21-14-6-4-13(5-7-14)19(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyIKFUKFCQJXNOOM-UHFFFAOYSA-N
MW391.81 g/mol
LogP3.00
Rot. Bonds7

About methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate

methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7570532) has the molecular formula C19H18ClNO6 and a molecular weight of 391.81 g/mol. Its IUPAC name is methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
PubChem CID7570532
Molecular FormulaC19H18ClNO6
Molecular Weight391.81 g/mol
Exact Mass391.08
IUPAC Namemethyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)COc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C19H18ClNO6/c1-12-3-8-15(20)16(9-12)26-11-18(23)27-10-17(22)21-14-6-4-13(5-7-14)19(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyIKFUKFCQJXNOOM-UHFFFAOYSA-N
XLogP3.00
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7153111
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234832
4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 8503681
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234836
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234812
2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
CID 7642831
2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 19169315
2-(2-chloro-5-methylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 7917293
methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 71822939
2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167161

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate (CID 7570532) is methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)COc2cc(C)ccc2Cl)cc1.
What is the InChIKey of methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is IKFUKFCQJXNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO6/c1-12-3-8-15(20)16(9-12)26-11-18(23)27-10-17(22)21-14-6-4-13(5-7-14)19(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate?
methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 391.81 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7570532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).