[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate

C15H18ClNO3 — CID 2495206

IUPAC[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C15H18ClNO3/c16-12-8-4-5-9-13(12)17-14(18)10-20-15(19)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,18)
InChIKeyICYBEPHXXQFRPK-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.40
Rot. Bonds4

About [2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate

[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 2495206) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
PubChem CID2495206
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C15H18ClNO3/c16-12-8-4-5-9-13(12)17-14(18)10-20-15(19)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,18)
InChIKeyICYBEPHXXQFRPK-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020275
N-(2-chlorophenyl)-2-cyclohexyloxyacetamide
CID 87000449
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
CID 8019936
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717375
[2-(2,6-dichloroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 8019688
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] cyclopentanecarboxylate
CID 23908442
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate
CID 8020094
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356187
[2-(2,4-dimethylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495268
[2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate
CID 2488778
[2-(2-chloroanilino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 55427836

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate (CID 2495206) is [2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate is O=C(COC(=O)C1CCCCC1)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is ICYBEPHXXQFRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-12-8-4-5-9-13(12)17-14(18)10-20-15(19)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,18).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate?
[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 295.77 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate is sourced from PubChem (CID 2495206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).