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

C17H21Cl2NO3 — CID 2489093

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NC1CCCCCCC1
InChIInChI=1S/C17H21Cl2NO3/c18-13-9-6-10-14(19)16(13)17(22)23-11-15(21)20-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H,20,21)
InChIKeyWYWTYPMFTHJIJF-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.38
Rot. Bonds4

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

[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 2489093) has the molecular formula C17H21Cl2NO3 and a molecular weight of 358.27 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID2489093
Molecular FormulaC17H21Cl2NO3
Molecular Weight358.27 g/mol
Exact Mass357.09
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NC1CCCCCCC1
InChIInChI=1S/C17H21Cl2NO3/c18-13-9-6-10-14(19)16(13)17(22)23-11-15(21)20-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H,20,21)
InChIKeyWYWTYPMFTHJIJF-UHFFFAOYSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2096945
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 2999823
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
[2-(cyclopentylamino)-2-oxoethyl] anthracene-9-carboxylate
CID 2511548
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
N-cyclohexyl-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetamide
CID 5116287

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 2489093) is [2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate is O=C(COC(=O)c1c(Cl)cccc1Cl)NC1CCCCCCC1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is WYWTYPMFTHJIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO3/c18-13-9-6-10-14(19)16(13)17(22)23-11-15(21)20-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H,20,21).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 358.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 2489093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).