2-(4-bromophenyl)-N-cyclopentylacetamide

C13H16BrNO — CID 875826

IUPAC2-(4-bromophenyl)-N-cyclopentylacetamide
SMILESO=C(Cc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C13H16BrNO/c14-11-7-5-10(6-8-11)9-13(16)15-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,15,16)
InChIKeyBFFXKPJDMZULBQ-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-bromophenyl)-N-cyclopentylacetamide

2-(4-bromophenyl)-N-cyclopentylacetamide (PubChem CID 875826) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-cyclopentylacetamide
PubChem CID875826
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-(4-bromophenyl)-N-cyclopentylacetamide
SMILESO=C(Cc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C13H16BrNO/c14-11-7-5-10(6-8-11)9-13(16)15-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,15,16)
InChIKeyBFFXKPJDMZULBQ-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-cyclopentylacetamide (CID 875826) is 2-(4-bromophenyl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-cyclopentylacetamide is O=C(Cc1ccc(Br)cc1)NC1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)-N-cyclopentylacetamide?
The InChIKey is BFFXKPJDMZULBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-11-7-5-10(6-8-11)9-13(16)15-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,15,16).
What are the key properties of 2-(4-bromophenyl)-N-cyclopentylacetamide?
2-(4-bromophenyl)-N-cyclopentylacetamide has a molecular weight of 282.18 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-cyclopentylacetamide is sourced from PubChem (CID 875826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).