[2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate

C14H15Cl2NO3 — CID 2428862

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)c(Cl)c1)NC1CCCC1
InChIInChI=1S/C14H15Cl2NO3/c15-11-6-5-9(7-12(11)16)14(19)20-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18)
InChIKeyXZNTYMGDICXHBL-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.21
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate

[2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate (PubChem CID 2428862) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate
PubChem CID2428862
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)c(Cl)c1)NC1CCCC1
InChIInChI=1S/C14H15Cl2NO3/c15-11-6-5-9(7-12(11)16)14(19)20-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18)
InChIKeyXZNTYMGDICXHBL-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate (CID 2428862) is [2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate is O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate?
The InChIKey is XZNTYMGDICXHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-11-6-5-9(7-12(11)16)14(19)20-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate has a molecular weight of 316.18 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate is sourced from PubChem (CID 2428862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).