[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate

C16H20ClNO4 — CID 2429712

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCCC1
InChIInChI=1S/C16H20ClNO4/c1-21-14-8-7-12(17)9-13(14)18-15(19)10-22-16(20)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,19)
InChIKeyOOHGOXPELGLETN-UHFFFAOYSA-N
MW325.79 g/mol
LogP3.41
Rot. Bonds5

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 2429712) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
PubChem CID2429712
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCCC1
InChIInChI=1S/C16H20ClNO4/c1-21-14-8-7-12(17)9-13(14)18-15(19)10-22-16(20)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,19)
InChIKeyOOHGOXPELGLETN-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 2897418
N-(3-Chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 903519
[2-(3-Methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2337929
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2395364
[2-(4-Methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2424612
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2429777
Propionanilide, 2-((4-chloro-o-tolyl)oxy)-
CID 203071
N-(5-Chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 868614
4-Chlorobenzyl 4-[(2-methoxyphenyl)amino]-4-oxobutanoate
CID 962042
N-(5-chloro-2-methoxyphenyl)-3-phenylpropanamide
CID 1040166
4-{3-[(5-Chloro-2-methoxyanilino)carbonyl]anilino}-4-oxobutanoic acid
CID 1217698
2-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2081745

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate (CID 2429712) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate is COc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCCC1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is OOHGOXPELGLETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-21-14-8-7-12(17)9-13(14)18-15(19)10-22-16(20)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,19).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 325.79 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate is sourced from PubChem (CID 2429712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).