2-(3-bromophenoxy)-N-cyclopentylpropanamide

C14H18BrNO2 — CID 43082983

IUPAC2-(3-bromophenoxy)-N-cyclopentylpropanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)NC1CCCC1
InChIInChI=1S/C14H18BrNO2/c1-10(14(17)16-12-6-2-3-7-12)18-13-8-4-5-11(15)9-13/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyAJEYMIBSDHAYSB-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.28
Rot. Bonds4

About 2-(3-bromophenoxy)-N-cyclopentylpropanamide

2-(3-bromophenoxy)-N-cyclopentylpropanamide (PubChem CID 43082983) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-cyclopentylpropanamide
PubChem CID43082983
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-(3-bromophenoxy)-N-cyclopentylpropanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)NC1CCCC1
InChIInChI=1S/C14H18BrNO2/c1-10(14(17)16-12-6-2-3-7-12)18-13-8-4-5-11(15)9-13/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyAJEYMIBSDHAYSB-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577629
2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide
CID 107723816
2-(3-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 83233705
2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
CID 83133628
[(1S)-1-(3-bromophenoxy)ethyl]cycloheptane
CID 126753998

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-cyclopentylpropanamide?
The IUPAC name of 2-(3-bromophenoxy)-N-cyclopentylpropanamide (CID 43082983) is 2-(3-bromophenoxy)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-cyclopentylpropanamide is CC(Oc1cccc(Br)c1)C(=O)NC1CCCC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-cyclopentylpropanamide?
The InChIKey is AJEYMIBSDHAYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10(14(17)16-12-6-2-3-7-12)18-13-8-4-5-11(15)9-13/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(3-bromophenoxy)-N-cyclopentylpropanamide?
2-(3-bromophenoxy)-N-cyclopentylpropanamide has a molecular weight of 312.21 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-cyclopentylpropanamide is sourced from PubChem (CID 43082983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).