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

C15H17Cl2NO3 — CID 2389868

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)NC1CCCC1
InChIInChI=1S/C15H17Cl2NO3/c16-12-6-3-7-13(17)11(12)8-15(20)21-9-14(19)18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,18,19)
InChIKeyTYDQZEUMJPPZRC-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.14
Rot. Bonds5

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

[2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 2389868) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID2389868
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)NC1CCCC1
InChIInChI=1S/C15H17Cl2NO3/c16-12-6-3-7-13(17)11(12)8-15(20)21-9-14(19)18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,18,19)
InChIKeyTYDQZEUMJPPZRC-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 2389868) is [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is O=C(COC(=O)Cc1c(Cl)cccc1Cl)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is TYDQZEUMJPPZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c16-12-6-3-7-13(17)11(12)8-15(20)21-9-14(19)18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,18,19).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 330.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 2389868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).