3-(4-bromo-3,5-dimethylphenoxy)propanamide

C11H14BrNO2 — CID 107723524

IUPAC3-(4-bromo-3,5-dimethylphenoxy)propanamide
SMILESCc1cc(OCCC(N)=O)cc(C)c1Br
InChIInChI=1S/C11H14BrNO2/c1-7-5-9(6-8(2)11(7)12)15-4-3-10(13)14/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyVLKWDSVQGHJSNI-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.32
Rot. Bonds4

About 3-(4-bromo-3,5-dimethylphenoxy)propanamide

3-(4-bromo-3,5-dimethylphenoxy)propanamide (PubChem CID 107723524) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenoxy)propanamide
PubChem CID107723524
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-(4-bromo-3,5-dimethylphenoxy)propanamide
SMILESCc1cc(OCCC(N)=O)cc(C)c1Br
InChIInChI=1S/C11H14BrNO2/c1-7-5-9(6-8(2)11(7)12)15-4-3-10(13)14/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyVLKWDSVQGHJSNI-UHFFFAOYSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3,5-dimethylphenoxy)propanoic acid;ethane
CID 144562870
hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
CID 107726871
3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 107723835
(2S)-4-(4-bromo-3,5-dimethylphenoxy)butan-2-ol
CID 129387597
3-(4-bromo-3,5-dimethylphenoxy)-N-methoxy-N-methylpropanamide;3-(4-bromo-3,5-dimethylphenoxy)propanoic acid
CID 158348793
3-(4-bromo-3,5-dimethylphenoxy)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one
CID 123166469
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451
2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
CID 107723472
3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide
CID 112619816
3-(4-bromo-3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 92922065
3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide
CID 21019528
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
CID 107723488

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)propanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)propanamide (CID 107723524) is 3-(4-bromo-3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenoxy)propanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenoxy)propanamide is Cc1cc(OCCC(N)=O)cc(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenoxy)propanamide?
The InChIKey is VLKWDSVQGHJSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-5-9(6-8(2)11(7)12)15-4-3-10(13)14/h5-6H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 3-(4-bromo-3,5-dimethylphenoxy)propanamide?
3-(4-bromo-3,5-dimethylphenoxy)propanamide has a molecular weight of 272.14 g/mol, XLogP of 2.32, 4 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)propanamide is sourced from PubChem (CID 107723524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).