2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide

C23H20Cl2N2O4 — CID 1293205

IUPAC2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2)c(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20Cl2N2O4/c1-15-2-11-20(26-22(28)13-30-18-7-3-16(24)4-8-18)21(12-15)27-23(29)14-31-19-9-5-17(25)6-10-19/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyXWWFPJKXJSGPPO-UHFFFAOYSA-N
MW459.33 g/mol
LogP5.34
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide

2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide (PubChem CID 1293205) has the molecular formula C23H20Cl2N2O4 and a molecular weight of 459.33 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
PubChem CID1293205
Molecular FormulaC23H20Cl2N2O4
Molecular Weight459.33 g/mol
Exact Mass458.08
IUPAC Name2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Cl)cc2)c(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20Cl2N2O4/c1-15-2-11-20(26-22(28)13-30-18-7-3-16(24)4-8-18)21(12-15)27-23(29)14-31-19-9-5-17(25)6-10-19/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyXWWFPJKXJSGPPO-UHFFFAOYSA-N
XLogP5.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.33
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 836090
N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3913624
2-(4-aminophenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 61094742
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63880194
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893677
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide (CID 1293205) is 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide is Cc1ccc(NC(=O)COc2ccc(Cl)cc2)c(NC(=O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide?
The InChIKey is XWWFPJKXJSGPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4/c1-15-2-11-20(26-22(28)13-30-18-7-3-16(24)4-8-18)21(12-15)27-23(29)14-31-19-9-5-17(25)6-10-19/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide has a molecular weight of 459.33 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 1293205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).