[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate

C15H18ClNO3 — CID 2356187

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCC1
InChIInChI=1S/C15H18ClNO3/c1-10-6-7-12(16)8-13(10)17-14(18)9-20-15(19)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,17,18)
InChIKeyXRHUYPCNVHEFFW-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.32
Rot. Bonds4

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 2356187) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
PubChem CID2356187
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCC1
InChIInChI=1S/C15H18ClNO3/c1-10-6-7-12(16)8-13(10)17-14(18)9-20-15(19)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,17,18)
InChIKeyXRHUYPCNVHEFFW-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020275
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 9067942
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717254
[2-(4-chloro-2-methylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932109
[2-(2,4-dimethylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495268
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate
CID 7717506
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 2386377
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-dimethylbutanoate
CID 2349949
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 38112813
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2352785
[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495206

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate (CID 2356187) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate is Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCC1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is XRHUYPCNVHEFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10-6-7-12(16)8-13(10)17-14(18)9-20-15(19)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,17,18).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 295.77 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 2356187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).