2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C20H23ClN2O3 — CID 16548228

IUPAC2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)COc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C20H23ClN2O3/c1-12-7-14(3)20(15(4)8-12)23-18(24)10-22-19(25)11-26-17-6-5-16(21)9-13(17)2/h5-9H,10-11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyVFEZDQSGIZGJOQ-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.71
Rot. Bonds6

About 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 16548228) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID16548228
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)COc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C20H23ClN2O3/c1-12-7-14(3)20(15(4)8-12)23-18(24)10-22-19(25)11-26-17-6-5-16(21)9-13(17)2/h5-9H,10-11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyVFEZDQSGIZGJOQ-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 7936907
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46786994
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201772
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-chlorobenzoate
CID 7483934
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 31127033
2-(4-chloro-2-methylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174022
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 3966844
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 16548228) is 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)COc2ccc(Cl)cc2C)c(C)c1.
What is the InChIKey of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VFEZDQSGIZGJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-12-7-14(3)20(15(4)8-12)23-18(24)10-22-19(25)11-26-17-6-5-16(21)9-13(17)2/h5-9H,10-11H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 374.87 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 16548228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).