methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate

C19H20ClNO4 — CID 17296544

IUPACmethyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C19H20ClNO4/c1-12-8-16(9-13(2)19(12)20)25-11-17(22)21-15-6-4-14(5-7-15)10-18(23)24-3/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyTXXUFIJEBHHRFK-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.69
Rot. Bonds6

About methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate

methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate (PubChem CID 17296544) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
PubChem CID17296544
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Namemethyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C19H20ClNO4/c1-12-8-16(9-13(2)19(12)20)25-11-17(22)21-15-6-4-14(5-7-15)10-18(23)24-3/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyTXXUFIJEBHHRFK-UHFFFAOYSA-N
XLogP3.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695186
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
methyl 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695168
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695234
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695222
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3539926

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate (CID 17296544) is methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate is COC(=O)Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1.
What is the InChIKey of methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate?
The InChIKey is TXXUFIJEBHHRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-12-8-16(9-13(2)19(12)20)25-11-17(22)21-15-6-4-14(5-7-15)10-18(23)24-3/h4-9H,10-11H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate?
methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate has a molecular weight of 361.83 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate is sourced from PubChem (CID 17296544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).