5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one

C13H10Br2N2OS — CID 80536215

IUPAC5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1ccc2c(c1)CC(=O)N2)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br2N2OS/c14-8-5-10(19-13(8)15)12(16)6-1-2-9-7(3-6)4-11(18)17-9/h1-3,5,12H,4,16H2,(H,17,18)
InChIKeyODXICEFMVWKTJQ-UHFFFAOYSA-N
MW402.11 g/mol
LogP3.82
Rot. Bonds2

About 5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one

5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 80536215) has the molecular formula C13H10Br2N2OS and a molecular weight of 402.11 g/mol. Its IUPAC name is 5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID80536215
Molecular FormulaC13H10Br2N2OS
Molecular Weight402.11 g/mol
Exact Mass399.89
IUPAC Name5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1ccc2c(c1)CC(=O)N2)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br2N2OS/c14-8-5-10(19-13(8)15)12(16)6-1-2-9-7(3-6)4-11(18)17-9/h1-3,5,12H,4,16H2,(H,17,18)
InChIKeyODXICEFMVWKTJQ-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.11
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 80536155
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
6-[amino-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79981205
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 107981813
5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one
CID 114988519
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 79095790

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one (CID 80536215) is 5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one is NC(c1ccc2c(c1)CC(=O)N2)c1cc(Br)c(Br)s1.
What is the InChIKey of 5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is ODXICEFMVWKTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2OS/c14-8-5-10(19-13(8)15)12(16)6-1-2-9-7(3-6)4-11(18)17-9/h1-3,5,12H,4,16H2,(H,17,18).
What are the key properties of 5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 402.11 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 80536215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).