3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide

C14H18BrNO2 — CID 107723835

IUPAC3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
SMILESCc1cc(OCCC(=O)NC2CC2)cc(C)c1Br
InChIInChI=1S/C14H18BrNO2/c1-9-7-12(8-10(2)14(9)15)18-6-5-13(17)16-11-3-4-11/h7-8,11H,3-6H2,1-2H3,(H,16,17)
InChIKeyQVKYLZVDLUPZGA-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.11
Rot. Bonds5

About 3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide

3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide (PubChem CID 107723835) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
PubChem CID107723835
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
SMILESCc1cc(OCCC(=O)NC2CC2)cc(C)c1Br
InChIInChI=1S/C14H18BrNO2/c1-9-7-12(8-10(2)14(9)15)18-6-5-13(17)16-11-3-4-11/h7-8,11H,3-6H2,1-2H3,(H,16,17)
InChIKeyQVKYLZVDLUPZGA-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112620994
3-(4-bromo-3,5-dimethylphenoxy)propanamide
CID 107723524
3-(4-bromo-3,5-dimethylphenoxy)propanoic acid;ethane
CID 144562870
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
CID 107726871
2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 103520360
N-cyclopropyl-3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190758
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
CID 62627959
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
CID 62898121
N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide
CID 62627215

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide (CID 107723835) is 3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide is Cc1cc(OCCC(=O)NC2CC2)cc(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide?
The InChIKey is QVKYLZVDLUPZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9-7-12(8-10(2)14(9)15)18-6-5-13(17)16-11-3-4-11/h7-8,11H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide?
3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide has a molecular weight of 312.21 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 107723835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).