[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C16H19Cl2NO3 — CID 2432962

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)NC1CCCCC1
InChIInChI=1S/C16H19Cl2NO3/c17-13-7-4-8-14(18)12(13)9-16(21)22-10-15(20)19-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,20)
InChIKeyNHVVKGUZTNBUDQ-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.53
Rot. Bonds5

About [2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 2432962) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID2432962
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)NC1CCCCC1
InChIInChI=1S/C16H19Cl2NO3/c17-13-7-4-8-14(18)12(13)9-16(21)22-10-15(20)19-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,20)
InChIKeyNHVVKGUZTNBUDQ-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605978
[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489093
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 11915073
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625308
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
2-(2-chloro-6-methoxyphenyl)-N-cyclohexylacetamide
CID 69037841
[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 8001276
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767193
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 2432962) is [2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is O=C(COC(=O)Cc1c(Cl)cccc1Cl)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is NHVVKGUZTNBUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c17-13-7-4-8-14(18)12(13)9-16(21)22-10-15(20)19-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 344.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 2432962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).