[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate

C20H21ClN2O5 — CID 8631709

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)COc2c(C)cc(Cl)cc2C)cc1
InChIInChI=1S/C20H21ClN2O5/c1-12-8-15(21)9-13(2)20(12)28-11-19(26)27-10-18(25)23-17-6-4-16(5-7-17)22-14(3)24/h4-9H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBNWMDCQJFBRCIS-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.48
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate (PubChem CID 8631709) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
PubChem CID8631709
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)COc2c(C)cc(Cl)cc2C)cc1
InChIInChI=1S/C20H21ClN2O5/c1-12-8-15(21)9-13(2)20(12)28-11-19(26)27-10-18(25)23-17-6-4-16(5-7-17)22-14(3)24/h4-9H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBNWMDCQJFBRCIS-UHFFFAOYSA-N
XLogP3.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate with MolForge

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2577038
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2097342
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528048
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631644
N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
CID 7935639
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405454
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576910
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576888
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
N-(4-acetamidophenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4899815

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate (CID 8631709) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate is CC(=O)Nc1ccc(NC(=O)COC(=O)COc2c(C)cc(Cl)cc2C)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The InChIKey is BNWMDCQJFBRCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-12-8-15(21)9-13(2)20(12)28-11-19(26)27-10-18(25)23-17-6-4-16(5-7-17)22-14(3)24/h4-9H,10-11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate has a molecular weight of 404.85 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 8631709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).