5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde

C14H16BrNO4 — CID 43083111

IUPAC5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
SMILESCC(Oc1ccc(Br)cc1C=O)C(=O)N1CCOCC1
InChIInChI=1S/C14H16BrNO4/c1-10(14(18)16-4-6-19-7-5-16)20-13-3-2-12(15)8-11(13)9-17/h2-3,8-10H,4-7H2,1H3
InChIKeyNTBTUDUXRHOODS-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.89
Rot. Bonds4

About 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde

5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde (PubChem CID 43083111) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
PubChem CID43083111
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
SMILESCC(Oc1ccc(Br)cc1C=O)C(=O)N1CCOCC1
InChIInChI=1S/C14H16BrNO4/c1-10(14(18)16-4-6-19-7-5-16)20-13-3-2-12(15)8-11(13)9-17/h2-3,8-10H,4-7H2,1H3
InChIKeyNTBTUDUXRHOODS-UHFFFAOYSA-N
XLogP1.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid
CID 43084682
3-bromo-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
CID 60643504
(2S)-2-(4-bromo-2-formylphenoxy)-N-methylpropanamide
CID 28834154
(2S)-2-(2,4-dibromophenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124680092
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-1-morpholin-4-ylpropan-1-one
CID 43505242
2-(4-bromo-2-formylphenoxy)-N-butan-2-ylpropanamide
CID 43112259
(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
CID 100816524
2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
CID 43082992
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-amino-5-bromobenzoate
CID 40954545
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 62074940
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7820119

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde?
The IUPAC name of 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde (CID 43083111) is 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde.
What is the SMILES notation for 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde?
The canonical SMILES for 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde is CC(Oc1ccc(Br)cc1C=O)C(=O)N1CCOCC1.
What is the InChIKey of 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde?
The InChIKey is NTBTUDUXRHOODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-10(14(18)16-4-6-19-7-5-16)20-13-3-2-12(15)8-11(13)9-17/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde?
5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde has a molecular weight of 342.19 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde is sourced from PubChem (CID 43083111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).