[2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate

C14H16BrNO3 — CID 2357296

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate
SMILESO=C(COC(=O)c1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C14H16BrNO3/c15-11-7-5-10(6-8-11)14(18)19-9-13(17)16-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,17)
InChIKeyFFPZQPGGVMYEEN-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.66
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate

[2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate (PubChem CID 2357296) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate
PubChem CID2357296
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate
SMILESO=C(COC(=O)c1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C14H16BrNO3/c15-11-7-5-10(6-8-11)14(18)19-9-13(17)16-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,17)
InChIKeyFFPZQPGGVMYEEN-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.66
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] 4-bromobenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate (CID 2357296) is [2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate is O=C(COC(=O)c1ccc(Br)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate?
The InChIKey is FFPZQPGGVMYEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c15-11-7-5-10(6-8-11)14(18)19-9-13(17)16-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,17).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 4-bromobenzoate has a molecular weight of 326.19 g/mol, XLogP of 2.66, 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] 4-bromobenzoate is sourced from PubChem (CID 2357296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).