[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate

C16H20BrNO3 — CID 4666331

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
SMILESCC(OC(=O)Cc1ccc(Br)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H20BrNO3/c1-11(16(20)18-14-4-2-3-5-14)21-15(19)10-12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,18,20)
InChIKeySJJUDEOMPTWBSA-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.98
Rot. Bonds5

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate (PubChem CID 4666331) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
PubChem CID4666331
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
SMILESCC(OC(=O)Cc1ccc(Br)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C16H20BrNO3/c1-11(16(20)18-14-4-2-3-5-14)21-15(19)10-12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,18,20)
InChIKeySJJUDEOMPTWBSA-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate (CID 4666331) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate is CC(OC(=O)Cc1ccc(Br)cc1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate?
The InChIKey is SJJUDEOMPTWBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-11(16(20)18-14-4-2-3-5-14)21-15(19)10-12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,18,20).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate has a molecular weight of 354.24 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 4666331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).