[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate

C18H17Cl2NO3 — CID 46827079

IUPAC[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)OC(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-11-3-5-13(6-4-11)9-17(22)24-12(2)18(23)21-16-8-7-14(19)10-15(16)20/h3-8,10,12H,9H2,1-2H3,(H,21,23)
InChIKeyCSBFCVYRMFYHJR-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.41
Rot. Bonds5

About [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate

[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate (PubChem CID 46827079) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
PubChem CID46827079
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)OC(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-11-3-5-13(6-4-11)9-17(22)24-12(2)18(23)21-16-8-7-14(19)10-15(16)20/h3-8,10,12H,9H2,1-2H3,(H,21,23)
InChIKeyCSBFCVYRMFYHJR-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063158
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667100
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589755
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589753
[(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063100
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 7763083
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 55417635
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-thiophen-2-ylacetate
CID 7798766
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750329
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate
CID 46626804
[(2S)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738294
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139334

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate?
The IUPAC name of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate (CID 46827079) is [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate.
What is the SMILES notation for [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate?
The canonical SMILES for [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate is Cc1ccc(CC(=O)OC(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate?
The InChIKey is CSBFCVYRMFYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-11-3-5-13(6-4-11)9-17(22)24-12(2)18(23)21-16-8-7-14(19)10-15(16)20/h3-8,10,12H,9H2,1-2H3,(H,21,23).
What are the key properties of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate?
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate has a molecular weight of 366.24 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate is sourced from PubChem (CID 46827079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).