2-(4-bromo-3-formylphenoxy)propanamide

C10H10BrNO3 — CID 81494404

IUPAC2-(4-bromo-3-formylphenoxy)propanamide
SMILESCC(Oc1ccc(Br)c(C=O)c1)C(N)=O
InChIInChI=1S/C10H10BrNO3/c1-6(10(12)14)15-8-2-3-9(11)7(4-8)5-13/h2-6H,1H3,(H2,12,14)
InChIKeyFZWMDKCYJDTJQG-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.51
Rot. Bonds4

About 2-(4-bromo-3-formylphenoxy)propanamide

2-(4-bromo-3-formylphenoxy)propanamide (PubChem CID 81494404) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-(4-bromo-3-formylphenoxy)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-formylphenoxy)propanamide
PubChem CID81494404
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name2-(4-bromo-3-formylphenoxy)propanamide
SMILESCC(Oc1ccc(Br)c(C=O)c1)C(N)=O
InChIInChI=1S/C10H10BrNO3/c1-6(10(12)14)15-8-2-3-9(11)7(4-8)5-13/h2-6H,1H3,(H2,12,14)
InChIKeyFZWMDKCYJDTJQG-UHFFFAOYSA-N
XLogP1.51
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.51
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

ethyl (2R)-2-(4-bromo-3-formylphenoxy)propanoate
CID 976960
2-bromo-5-(1-fluoroethoxy)benzaldehyde
CID 177207164
2-(4-bromo-3-methylphenoxy)propanamide
CID 81302434
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
2-(3-methyl-4-sulfamoylphenoxy)propanamide
CID 82915497
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
2-bromo-4-propan-2-yloxybenzaldehyde
CID 104573949
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503658
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
2-bromo-5-(2-bromopropanoyl)benzaldehyde
CID 130894877
2-(3-aminophenoxy)propanamide
CID 43115971

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-formylphenoxy)propanamide?
The IUPAC name of 2-(4-bromo-3-formylphenoxy)propanamide (CID 81494404) is 2-(4-bromo-3-formylphenoxy)propanamide.
What is the SMILES notation for 2-(4-bromo-3-formylphenoxy)propanamide?
The canonical SMILES for 2-(4-bromo-3-formylphenoxy)propanamide is CC(Oc1ccc(Br)c(C=O)c1)C(N)=O.
What is the InChIKey of 2-(4-bromo-3-formylphenoxy)propanamide?
The InChIKey is FZWMDKCYJDTJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-6(10(12)14)15-8-2-3-9(11)7(4-8)5-13/h2-6H,1H3,(H2,12,14).
What are the key properties of 2-(4-bromo-3-formylphenoxy)propanamide?
2-(4-bromo-3-formylphenoxy)propanamide has a molecular weight of 272.10 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-formylphenoxy)propanamide is sourced from PubChem (CID 81494404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).