2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide

C25H23ClN2O4 — CID 31132082

IUPAC2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClN2O4/c1-16-4-3-5-17(2)24(16)28-22(29)14-27-23(30)15-32-21-12-8-19(9-13-21)25(31)18-6-10-20(26)11-7-18/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySXAWBYARGJRLFM-UHFFFAOYSA-N
MW450.92 g/mol
LogP4.32
Rot. Bonds8

About 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide

2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 31132082) has the molecular formula C25H23ClN2O4 and a molecular weight of 450.92 g/mol. Its IUPAC name is 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID31132082
Molecular FormulaC25H23ClN2O4
Molecular Weight450.92 g/mol
Exact Mass450.13
IUPAC Name2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClN2O4/c1-16-4-3-5-17(2)24(16)28-22(29)14-27-23(30)15-32-21-12-8-19(9-13-21)25(31)18-6-10-20(26)11-7-18/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySXAWBYARGJRLFM-UHFFFAOYSA-N
XLogP4.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.92
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 26904107
2-(4-benzoylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 7717850
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 27760246
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide
CID 86881521
4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 7790413
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
CID 50881036
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-(4-acetamidophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 896754
2-[[2-(4-benzoylphenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 9202240
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide (CID 31132082) is 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is SXAWBYARGJRLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O4/c1-16-4-3-5-17(2)24(16)28-22(29)14-27-23(30)15-32-21-12-8-19(9-13-21)25(31)18-6-10-20(26)11-7-18/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide?
2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 450.92 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 31132082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).