methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate

C22H17Cl2NO5 — CID 57406612

IUPACmethyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H17Cl2NO5/c1-28-22(27)15-6-2-3-7-17(15)25-21(26)13-29-19-8-4-5-9-20(19)30-18-11-10-14(23)12-16(18)24/h2-12H,13H2,1H3,(H,25,26)
InChIKeyQVVGRFFZIMHJRM-UHFFFAOYSA-N
MW446.29 g/mol
LogP5.59
Rot. Bonds7

About methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate

methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate (PubChem CID 57406612) has the molecular formula C22H17Cl2NO5 and a molecular weight of 446.29 g/mol. Its IUPAC name is methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate
PubChem CID57406612
Molecular FormulaC22H17Cl2NO5
Molecular Weight446.29 g/mol
Exact Mass445.05
IUPAC Namemethyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H17Cl2NO5/c1-28-22(27)15-6-2-3-7-17(15)25-21(26)13-29-19-8-4-5-9-20(19)30-18-11-10-14(23)12-16(18)24/h2-12H,13H2,1H3,(H,25,26)
InChIKeyQVVGRFFZIMHJRM-UHFFFAOYSA-N
XLogP5.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.29
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
CID 2208364
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
N-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 923080
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186619
ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate
CID 7167831
N-cyclopropyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 7729391
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150278

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate (CID 57406612) is methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate?
The InChIKey is QVVGRFFZIMHJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO5/c1-28-22(27)15-6-2-3-7-17(15)25-21(26)13-29-19-8-4-5-9-20(19)30-18-11-10-14(23)12-16(18)24/h2-12H,13H2,1H3,(H,25,26).
What are the key properties of methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate?
methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate has a molecular weight of 446.29 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 57406612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).