ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate

C26H25Cl2NO4 — CID 23098555

IUPACethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C26H25Cl2NO4/c1-4-32-26(31)19-9-11-20(12-10-19)29(15-21-22(27)6-5-7-23(21)28)25(30)16-33-24-13-8-17(2)14-18(24)3/h5-14H,4,15-16H2,1-3H3
InChIKeyIVUOLRXCFRIQJF-UHFFFAOYSA-N
MW486.40 g/mol
LogP6.40
Rot. Bonds8

About ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate

ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate (PubChem CID 23098555) has the molecular formula C26H25Cl2NO4 and a molecular weight of 486.40 g/mol. Its IUPAC name is ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate
PubChem CID23098555
Molecular FormulaC26H25Cl2NO4
Molecular Weight486.40 g/mol
Exact Mass485.12
IUPAC Nameethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C26H25Cl2NO4/c1-4-32-26(31)19-9-11-20(12-10-19)29(15-21-22(27)6-5-7-23(21)28)25(30)16-33-24-13-8-17(2)14-18(24)3/h5-14H,4,15-16H2,1-3H3
InChIKeyIVUOLRXCFRIQJF-UHFFFAOYSA-N
XLogP6.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-(2,4-dimethylphenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22777024
ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]benzoate
CID 23100696
ethyl 4-[(2,6-dichlorophenyl)methyl-(3-propan-2-yloxybenzoyl)amino]benzoate
CID 23098556
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132675020
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132721020
ethyl 4-[(2,6-dichlorophenyl)methyl-(thiophene-2-carbonyl)amino]benzoate
CID 22780012
ethyl 4-[(2,6-dichlorophenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]benzoate
CID 22783001
(2S)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]propanamide
CID 100599183
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-[(2,6-dichlorophenyl)methyl]amino]benzoate
CID 23098892
ethyl 4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-[(2,6-dichlorophenyl)methyl]amino]benzoate
CID 21170282
ethyl 4-[[2-(4-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]benzoate
CID 23099296
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132621028

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate (CID 23098555) is ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc(C)cc2C)cc1.
What is the InChIKey of ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate?
The InChIKey is IVUOLRXCFRIQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2NO4/c1-4-32-26(31)19-9-11-20(12-10-19)29(15-21-22(27)6-5-7-23(21)28)25(30)16-33-24-13-8-17(2)14-18(24)3/h5-14H,4,15-16H2,1-3H3.
What are the key properties of ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate?
ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate has a molecular weight of 486.40 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 23098555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).