methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate

C17H16Cl2N2O4 — CID 134065126

IUPACmethyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)nc(C)c2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O4/c1-9-14(18)16(15(19)10(2)20-9)25-8-13(22)21-12-6-4-11(5-7-12)17(23)24-3/h4-7H,8H2,1-3H3,(H,21,22)
InChIKeyYJWPXSKOKBLZLS-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.81
Rot. Bonds5

About methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate

methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate (PubChem CID 134065126) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate
PubChem CID134065126
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC Namemethyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)nc(C)c2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O4/c1-9-14(18)16(15(19)10(2)20-9)25-8-13(22)21-12-6-4-11(5-7-12)17(23)24-3/h4-7H,8H2,1-3H3,(H,21,22)
InChIKeyYJWPXSKOKBLZLS-UHFFFAOYSA-N
XLogP3.81
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134064638
N-(3-chloro-4-fluorophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134064495
dimethyl 5-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17117499
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-N-(2-hydroxyphenyl)acetamide
CID 134064912
N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4899815
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 134064721
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17117574
methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7570532

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate (CID 134065126) is methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)nc(C)c2Cl)cc1.
What is the InChIKey of methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate?
The InChIKey is YJWPXSKOKBLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-9-14(18)16(15(19)10(2)20-9)25-8-13(22)21-12-6-4-11(5-7-12)17(23)24-3/h4-7H,8H2,1-3H3,(H,21,22).
What are the key properties of methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate?
methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate has a molecular weight of 383.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]benzoate is sourced from PubChem (CID 134065126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).