[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate

C16H19Cl2NO3 — CID 7751603

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2NO3/c17-12-6-7-14(13(18)9-12)19-15(20)10-22-16(21)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,19,20)
InChIKeyLIXDIVMLJOEDPB-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.45
Rot. Bonds6

About [2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 7751603) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID7751603
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2NO3/c17-12-6-7-14(13(18)9-12)19-15(20)10-22-16(21)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,19,20)
InChIKeyLIXDIVMLJOEDPB-UHFFFAOYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751589
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 9067618
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 7840698
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815659
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815692
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815750
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2617312
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751571
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2521687
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 7751603) is [2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is LIXDIVMLJOEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c17-12-6-7-14(13(18)9-12)19-15(20)10-22-16(21)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,19,20).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 344.24 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 7751603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).