methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate

C19H19F2NO4 — CID 24659279

IUPACmethyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)COc2c(C)cc(C)cc2C)c(F)cc1F
InChIInChI=1S/C19H19F2NO4/c1-10-5-11(2)18(12(3)6-10)26-9-17(23)22-16-7-13(19(24)25-4)14(20)8-15(16)21/h5-8H,9H2,1-4H3,(H,22,23)
InChIKeyGWUGIGZDNMBBQZ-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.69
Rot. Bonds5

About methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate

methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate (PubChem CID 24659279) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate
PubChem CID24659279
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Namemethyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)COc2c(C)cc(C)cc2C)c(F)cc1F
InChIInChI=1S/C19H19F2NO4/c1-10-5-11(2)18(12(3)6-10)26-9-17(23)22-16-7-13(19(24)25-4)14(20)8-15(16)21/h5-8H,9H2,1-4H3,(H,22,23)
InChIKeyGWUGIGZDNMBBQZ-UHFFFAOYSA-N
XLogP3.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate
CID 24659294
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222
N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 55369187
methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate
CID 47022018
N-(2,5-difluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 2711364
2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2109337
methyl 5-[3-(aminomethyl)pentanoylamino]-2,4-difluorobenzoate
CID 81070163
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
N-(4-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 877304
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
methyl 5-(2-chloropropanoylamino)-2,4-difluorobenzoate
CID 43347118

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate (CID 24659279) is methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)COc2c(C)cc(C)cc2C)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate?
The InChIKey is GWUGIGZDNMBBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-10-5-11(2)18(12(3)6-10)26-9-17(23)22-16-7-13(19(24)25-4)14(20)8-15(16)21/h5-8H,9H2,1-4H3,(H,22,23).
What are the key properties of methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate?
methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate has a molecular weight of 363.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 24659279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).