[2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate

C15H17Cl2NO3 — CID 2387457

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NC1CCCCC1
InChIInChI=1S/C15H17Cl2NO3/c16-11-7-4-8-12(17)14(11)15(20)21-9-13(19)18-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,18,19)
InChIKeySQPBLNWBYWLRGK-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.60
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 2387457) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID2387457
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NC1CCCCC1
InChIInChI=1S/C15H17Cl2NO3/c16-11-7-4-8-12(17)14(11)15(20)21-9-13(19)18-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,18,19)
InChIKeySQPBLNWBYWLRGK-UHFFFAOYSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 2387457) is [2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate is O=C(COC(=O)c1c(Cl)cccc1Cl)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is SQPBLNWBYWLRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c16-11-7-4-8-12(17)14(11)15(20)21-9-13(19)18-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,18,19).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 330.21 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 2387457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).