2-(4-bromophenoxy)-2-methoxypropanamide

C10H12BrNO3 — CID 90758901

IUPAC2-(4-bromophenoxy)-2-methoxypropanamide
SMILESCOC(C)(Oc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C10H12BrNO3/c1-10(14-2,9(12)13)15-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H2,12,13)
InChIKeySPKGRNMUQCLPLE-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.68
Rot. Bonds4

About 2-(4-bromophenoxy)-2-methoxypropanamide

2-(4-bromophenoxy)-2-methoxypropanamide (PubChem CID 90758901) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-2-methoxypropanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-2-methoxypropanamide
PubChem CID90758901
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-(4-bromophenoxy)-2-methoxypropanamide
SMILESCOC(C)(Oc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C10H12BrNO3/c1-10(14-2,9(12)13)15-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H2,12,13)
InChIKeySPKGRNMUQCLPLE-UHFFFAOYSA-N
XLogP1.68
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate
CID 116821214
ethane;2-methyl-2-(4-methylphenoxy)propanamide
CID 145199634
3-(4-bromophenoxy)-3-hydroxybutanoic acid
CID 22751463
diethyl 2,2-bis(4-bromophenoxy)propanedioate
CID 154094216
methyl 3-(4-bromophenoxy)-2-hydroxy-3-phenylbutanoate
CID 15292297
2-(4-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 60996145
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 17099076
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 162567943
1-(4-bromophenoxy)-1,1-difluoro-2-methylpropan-2-ol
CID 169242990
3-(4-bromophenoxy)-3-methylbutan-2-ol
CID 57460956
1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene
CID 68761219
(2R)-2-(4-bromophenoxy)propanamide
CID 974910

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-2-methoxypropanamide?
The IUPAC name of 2-(4-bromophenoxy)-2-methoxypropanamide (CID 90758901) is 2-(4-bromophenoxy)-2-methoxypropanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-2-methoxypropanamide?
The canonical SMILES for 2-(4-bromophenoxy)-2-methoxypropanamide is COC(C)(Oc1ccc(Br)cc1)C(N)=O.
What is the InChIKey of 2-(4-bromophenoxy)-2-methoxypropanamide?
The InChIKey is SPKGRNMUQCLPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-10(14-2,9(12)13)15-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 2-(4-bromophenoxy)-2-methoxypropanamide?
2-(4-bromophenoxy)-2-methoxypropanamide has a molecular weight of 274.11 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-2-methoxypropanamide is sourced from PubChem (CID 90758901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).