methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate

C18H15ClN2O5 — CID 7893243

IUPACmethyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1c(Cl)cc(C#N)cc1OC
InChIInChI=1S/C18H15ClN2O5/c1-24-15-8-11(9-20)7-13(19)17(15)26-10-16(22)21-14-6-4-3-5-12(14)18(23)25-2/h3-8H,10H2,1-2H3,(H,21,22)
InChIKeyRYVAOJFGMVAUCU-UHFFFAOYSA-N
MW374.78 g/mol
LogP3.02
Rot. Bonds6

About methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate

methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate (PubChem CID 7893243) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate
PubChem CID7893243
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Namemethyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1c(Cl)cc(C#N)cc1OC
InChIInChI=1S/C18H15ClN2O5/c1-24-15-8-11(9-20)7-13(19)17(15)26-10-16(22)21-14-6-4-3-5-12(14)18(23)25-2/h3-8H,10H2,1-2H3,(H,21,22)
InChIKeyRYVAOJFGMVAUCU-UHFFFAOYSA-N
XLogP3.02
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate with MolForge

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Related Compounds

N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide
CID 7893217
2-(2-chloro-4-cyano-6-ethoxyphenoxy)-N-(2-phenylphenyl)acetamide
CID 8894164
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 42486896
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7893268
methyl 2-[[2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7706881
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate
CID 57406612
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9371909
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate (CID 7893243) is methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1c(Cl)cc(C#N)cc1OC.
What is the InChIKey of methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is RYVAOJFGMVAUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c1-24-15-8-11(9-20)7-13(19)17(15)26-10-16(22)21-14-6-4-3-5-12(14)18(23)25-2/h3-8H,10H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate?
methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 374.78 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-chloro-4-cyano-6-methoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 7893243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).