2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one

C15H15BrN2OS — CID 69186075

IUPAC2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one
SMILESNC(Cc1ccc(Br)s1)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C15H15BrN2OS/c16-14-6-5-12(20-14)7-13(17)15(19)18-8-10-3-1-2-4-11(10)9-18/h1-6,13H,7-9,17H2
InChIKeyGGDHQTYFDSNKDN-UHFFFAOYSA-N
MW351.27 g/mol
LogP2.92
Rot. Bonds3

About 2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one

2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one (PubChem CID 69186075) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one
PubChem CID69186075
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one
SMILESNC(Cc1ccc(Br)s1)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C15H15BrN2OS/c16-14-6-5-12(20-14)7-13(17)15(19)18-8-10-3-1-2-4-11(10)9-18/h1-6,13H,7-9,17H2
InChIKeyGGDHQTYFDSNKDN-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
The IUPAC name of 2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one (CID 69186075) is 2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
The canonical SMILES for 2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one is NC(Cc1ccc(Br)s1)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of 2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
The InChIKey is GGDHQTYFDSNKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c16-14-6-5-12(20-14)7-13(17)15(19)18-8-10-3-1-2-4-11(10)9-18/h1-6,13H,7-9,17H2.
What are the key properties of 2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one has a molecular weight of 351.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one is sourced from PubChem (CID 69186075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).