2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C20H21ClN2O4 — CID 2594718

IUPAC2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)NCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H21ClN2O4/c1-12-5-4-6-17(13(12)2)23-19(25)10-22-20(26)11-27-18-8-7-15(21)9-16(18)14(3)24/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyMJZIIXGXKACDEH-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.29
Rot. Bonds7

About 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 2594718) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID2594718
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)NCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H21ClN2O4/c1-12-5-4-6-17(13(12)2)23-19(25)10-22-20(26)11-27-18-8-7-15(21)9-16(18)14(3)24/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyMJZIIXGXKACDEH-UHFFFAOYSA-N
XLogP3.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7858908
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenoxy)acetyl]amino]acetamide
CID 7501086
ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate
CID 7167831
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779559
2-(2-acetyl-4-chlorophenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7167790
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 7936907
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
N-(2,3-dimethylphenyl)-2-[[2-(2-formylphenoxy)acetyl]amino]acetamide
CID 7763027
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986
2-(2-acetyl-4-chlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7167750
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300862

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 2594718) is 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is CC(=O)c1cc(Cl)ccc1OCC(=O)NCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is MJZIIXGXKACDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-12-5-4-6-17(13(12)2)23-19(25)10-22-20(26)11-27-18-8-7-15(21)9-16(18)14(3)24/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 388.85 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 2594718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).