[2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate

C14H15BrClNO3 — CID 2092930

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1Cl)NC1CCCC1
InChIInChI=1S/C14H15BrClNO3/c15-9-5-6-12(16)11(7-9)14(19)20-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18)
InChIKeyCFOGVIREJAWYMK-UHFFFAOYSA-N
MW360.64 g/mol
LogP3.32
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate

[2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate (PubChem CID 2092930) has the molecular formula C14H15BrClNO3 and a molecular weight of 360.64 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
PubChem CID2092930
Molecular FormulaC14H15BrClNO3
Molecular Weight360.64 g/mol
Exact Mass358.99
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1Cl)NC1CCCC1
InChIInChI=1S/C14H15BrClNO3/c15-9-5-6-12(16)11(7-9)14(19)20-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18)
InChIKeyCFOGVIREJAWYMK-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 53.32
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] 5-bromo-2-chlorobenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate (CID 2092930) is [2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate is O=C(COC(=O)c1cc(Br)ccc1Cl)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The InChIKey is CFOGVIREJAWYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3/c15-9-5-6-12(16)11(7-9)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] 5-bromo-2-chlorobenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate has a molecular weight of 360.64 g/mol, XLogP of 3.32, 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] 5-bromo-2-chlorobenzoate is sourced from PubChem (CID 2092930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).