3-(2-bromo-6-formylphenoxy)butanamide

C11H12BrNO3 — CID 123241390

IUPAC3-(2-bromo-6-formylphenoxy)butanamide
SMILESCC(CC(N)=O)Oc1c(Br)cccc1C=O
InChIInChI=1S/C11H12BrNO3/c1-7(5-10(13)15)16-11-8(6-14)3-2-4-9(11)12/h2-4,6-7H,5H2,1H3,(H2,13,15)
InChIKeyUTXHWCLSOCESJH-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.90
Rot. Bonds5

About 3-(2-bromo-6-formylphenoxy)butanamide

3-(2-bromo-6-formylphenoxy)butanamide (PubChem CID 123241390) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 3-(2-bromo-6-formylphenoxy)butanamide.

Molecular Properties

Compound Name3-(2-bromo-6-formylphenoxy)butanamide
PubChem CID123241390
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name3-(2-bromo-6-formylphenoxy)butanamide
SMILESCC(CC(N)=O)Oc1c(Br)cccc1C=O
InChIInChI=1S/C11H12BrNO3/c1-7(5-10(13)15)16-11-8(6-14)3-2-4-9(11)12/h2-4,6-7H,5H2,1H3,(H2,13,15)
InChIKeyUTXHWCLSOCESJH-UHFFFAOYSA-N
XLogP1.90
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxy-6-formylphenoxy)butanamide
CID 123750049
3-bromo-2-but-3-en-2-yloxybenzaldehyde
CID 62384153
ethyl 2-(2-bromo-6-formylphenoxy)pentanoate
CID 83041566
(3R)-3-(2,6-dibromophenoxy)butanoic acid
CID 103547748
2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61390814
2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
CID 61391421
3-bromo-2-butoxybenzaldehyde
CID 61390829
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde
CID 61391450
3-bromo-2-(2-hydroxy-2-phenylethoxy)benzaldehyde
CID 61391435
2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde
CID 112610920
3-(2,6-dibromophenyl)pentanediamide
CID 20546645

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-formylphenoxy)butanamide?
The IUPAC name of 3-(2-bromo-6-formylphenoxy)butanamide (CID 123241390) is 3-(2-bromo-6-formylphenoxy)butanamide.
What is the SMILES notation for 3-(2-bromo-6-formylphenoxy)butanamide?
The canonical SMILES for 3-(2-bromo-6-formylphenoxy)butanamide is CC(CC(N)=O)Oc1c(Br)cccc1C=O.
What is the InChIKey of 3-(2-bromo-6-formylphenoxy)butanamide?
The InChIKey is UTXHWCLSOCESJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-7(5-10(13)15)16-11-8(6-14)3-2-4-9(11)12/h2-4,6-7H,5H2,1H3,(H2,13,15).
What are the key properties of 3-(2-bromo-6-formylphenoxy)butanamide?
3-(2-bromo-6-formylphenoxy)butanamide has a molecular weight of 286.12 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-formylphenoxy)butanamide is sourced from PubChem (CID 123241390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).