[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate

C15H18BrNO3 — CID 2435039

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C15H18BrNO3/c16-12-7-5-11(6-8-12)9-15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,18)
InChIKeyFNHVMWPPSDZRSS-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.59
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 2435039) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID2435039
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C15H18BrNO3/c16-12-7-5-11(6-8-12)9-15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,18)
InChIKeyFNHVMWPPSDZRSS-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.59
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] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 2435039) is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate is O=C(COC(=O)Cc1ccc(Br)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is FNHVMWPPSDZRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c16-12-7-5-11(6-8-12)9-15(19)20-10-14(18)17-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 340.22 g/mol, XLogP of 2.59, 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-(4-bromophenyl)acetate is sourced from PubChem (CID 2435039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).