[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate

C14H15Cl2NO3 — CID 8019648

IUPAC[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESCc1ccc(Cl)c(NC(=O)COC(=O)C2CCC2)c1Cl
InChIInChI=1S/C14H15Cl2NO3/c1-8-5-6-10(15)13(12(8)16)17-11(18)7-20-14(19)9-3-2-4-9/h5-6,9H,2-4,7H2,1H3,(H,17,18)
InChIKeySPRYOEBYFJYRSY-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.58
Rot. Bonds4

About [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 8019648) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate
PubChem CID8019648
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESCc1ccc(Cl)c(NC(=O)COC(=O)C2CCC2)c1Cl
InChIInChI=1S/C14H15Cl2NO3/c1-8-5-6-10(15)13(12(8)16)17-11(18)7-20-14(19)9-3-2-4-9/h5-6,9H,2-4,7H2,1H3,(H,17,18)
InChIKeySPRYOEBYFJYRSY-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-Chloro-4,6-dimethylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 8019219
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 4801740
[1-[2-Chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 4569276
[2-(3-Chloro-4-methylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 2432486
Ethyl {[2-chloro-5-(trifluoromethyl)phenyl]amino}(oxo)acetate
CID 1796615
[2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] pentanoate
CID 2098488
[(2S)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2358382
[(2R)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2358383
[2-[2-Chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 2431352
[2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 2434485
[2-[2-Chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2465633
[2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] butanoate
CID 2466660

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate (CID 8019648) is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate is Cc1ccc(Cl)c(NC(=O)COC(=O)C2CCC2)c1Cl.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is SPRYOEBYFJYRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c1-8-5-6-10(15)13(12(8)16)17-11(18)7-20-14(19)9-3-2-4-9/h5-6,9H,2-4,7H2,1H3,(H,17,18).
What are the key properties of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate?
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 316.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 8019648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).