2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

C15H14BrNO4 — CID 9007049

IUPAC2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Br)cc1C=O)c1ccco1
InChIInChI=1S/C15H14BrNO4/c1-10(13-3-2-6-20-13)17-15(19)9-21-14-5-4-12(16)7-11(14)8-18/h2-8,10H,9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyAMEMDLUNSVVURU-JTQLQIEISA-N
MW352.18 g/mol
LogP3.11
Rot. Bonds6

About 2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 9007049) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
PubChem CID9007049
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Br)cc1C=O)c1ccco1
InChIInChI=1S/C15H14BrNO4/c1-10(13-3-2-6-20-13)17-15(19)9-21-14-5-4-12(16)7-11(14)8-18/h2-8,10H,9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyAMEMDLUNSVVURU-JTQLQIEISA-N
XLogP3.11
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625
2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 9007013
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7820162
2-(4-bromo-2-formylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7819961
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
N-[1-(furan-2-yl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 60594643
2-(4-chloronaphthalen-1-yl)oxy-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9328047
N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338576
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8846429
4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide
CID 9481896
2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide
CID 7819916

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (CID 9007049) is 2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is C[C@H](NC(=O)COc1ccc(Br)cc1C=O)c1ccco1.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is AMEMDLUNSVVURU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-10(13-3-2-6-20-13)17-15(19)9-21-14-5-4-12(16)7-11(14)8-18/h2-8,10H,9H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 352.18 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 9007049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).