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

C15H17BrClNO2 — CID 70365516

IUPAC3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(CN)C(=O)c1ccc(-c2cccc(Br)c2)o1.Cl
InChIInChI=1S/C15H16BrNO2.ClH/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;1H
InChIKeyMKYZOYFKGBPBLQ-UHFFFAOYSA-N
MW358.66 g/mol
LogP4.30
Rot. Bonds4

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

3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride (PubChem CID 70365516) has the molecular formula C15H17BrClNO2 and a molecular weight of 358.66 g/mol. Its IUPAC name is 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride
PubChem CID70365516
Molecular FormulaC15H17BrClNO2
Molecular Weight358.66 g/mol
Exact Mass357.01
IUPAC Name3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(CN)C(=O)c1ccc(-c2cccc(Br)c2)o1.Cl
InChIInChI=1S/C15H16BrNO2.ClH/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;1H
InChIKeyMKYZOYFKGBPBLQ-UHFFFAOYSA-N
XLogP4.30
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 54.30
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;hydrochloride?
The IUPAC name of 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride (CID 70365516) is 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride is CC(C)(CN)C(=O)c1ccc(-c2cccc(Br)c2)o1.Cl.
What is the InChIKey of 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride?
The InChIKey is MKYZOYFKGBPBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2.ClH/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;1H.
What are the key properties of 3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride?
3-amino-1-[5-(3-bromophenyl)furan-2-yl]-2,2-dimethylpropan-1-one;hydrochloride has a molecular weight of 358.66 g/mol, XLogP of 4.30, 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;hydrochloride is sourced from PubChem (CID 70365516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).