[2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate

C16H19Cl2NO3 — CID 3230525

IUPAC[2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2NO3/c1-10(20)22-15(11-7-8-13(17)14(18)9-11)16(21)19-12-5-3-2-4-6-12/h7-9,12,15H,2-6H2,1H3,(H,19,21)
InChIKeyXQVVCNBONUFDKD-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.05
Rot. Bonds4

About [2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate

[2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate (PubChem CID 3230525) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is [2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate
PubChem CID3230525
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Name[2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2NO3/c1-10(20)22-15(11-7-8-13(17)14(18)9-11)16(21)19-12-5-3-2-4-6-12/h7-9,12,15H,2-6H2,1H3,(H,19,21)
InChIKeyXQVVCNBONUFDKD-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate?
The IUPAC name of [2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate (CID 3230525) is [2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate is CC(=O)OC(C(=O)NC1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate?
The InChIKey is XQVVCNBONUFDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c1-10(20)22-15(11-7-8-13(17)14(18)9-11)16(21)19-12-5-3-2-4-6-12/h7-9,12,15H,2-6H2,1H3,(H,19,21).
What are the key properties of [2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate?
[2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate has a molecular weight of 344.24 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate is sourced from PubChem (CID 3230525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).