3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one

C15H16BrNO2 — CID 70365517

IUPAC3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)c1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C15H16BrNO2/c1-15(2,9-17)14(18)13-7-6-12(19-13)10-4-3-5-11(16)8-10/h3-8H,9,17H2,1-2H3
InChIKeyLHZNJHATHYTXLU-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.88
Rot. Bonds4

About 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one

3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 70365517) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one
PubChem CID70365517
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)c1ccc(-c2cccc(Br)c2)o1
InChIInChI=1S/C15H16BrNO2/c1-15(2,9-17)14(18)13-7-6-12(19-13)10-4-3-5-11(16)8-10/h3-8H,9,17H2,1-2H3
InChIKeyLHZNJHATHYTXLU-UHFFFAOYSA-N
XLogP3.88
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one (CID 70365517) is 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one is CC(C)(CN)C(=O)c1ccc(-c2cccc(Br)c2)o1.
What is the InChIKey of 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is LHZNJHATHYTXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-15(2,9-17)14(18)13-7-6-12(19-13)10-4-3-5-11(16)8-10/h3-8H,9,17H2,1-2H3.
What are the key properties of 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one?
3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 322.20 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 70365517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).