N-(3-bromophenyl)-2-cyclopentylacetamide

C13H16BrNO — CID 2403164

IUPACN-(3-bromophenyl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1cccc(Br)c1
InChIInChI=1S/C13H16BrNO/c14-11-6-3-7-12(9-11)15-13(16)8-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2,(H,15,16)
InChIKeyBRTIKHXKUDIASV-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.97
Rot. Bonds3

About N-(3-bromophenyl)-2-cyclopentylacetamide

N-(3-bromophenyl)-2-cyclopentylacetamide (PubChem CID 2403164) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-cyclopentylacetamide
PubChem CID2403164
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-(3-bromophenyl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1cccc(Br)c1
InChIInChI=1S/C13H16BrNO/c14-11-6-3-7-12(9-11)15-13(16)8-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2,(H,15,16)
InChIKeyBRTIKHXKUDIASV-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-cyclopentylacetamide?
The IUPAC name of N-(3-bromophenyl)-2-cyclopentylacetamide (CID 2403164) is N-(3-bromophenyl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-cyclopentylacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-cyclopentylacetamide is O=C(CC1CCCC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-cyclopentylacetamide?
The InChIKey is BRTIKHXKUDIASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-11-6-3-7-12(9-11)15-13(16)8-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2,(H,15,16).
What are the key properties of N-(3-bromophenyl)-2-cyclopentylacetamide?
N-(3-bromophenyl)-2-cyclopentylacetamide has a molecular weight of 282.18 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-cyclopentylacetamide is sourced from PubChem (CID 2403164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).