(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone

C13H10Br2N2OS — CID 107959291

IUPAC(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1cc(Br)sc1Br)CC2
InChIInChI=1S/C13H10Br2N2OS/c14-11-6-9(12(15)19-11)13(18)17-4-3-7-1-2-8(16)5-10(7)17/h1-2,5-6H,3-4,16H2
InChIKeyNKKNZVASSIZZDN-UHFFFAOYSA-N
MW402.11 g/mol
LogP4.06
Rot. Bonds1

About (6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone

(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 107959291) has the molecular formula C13H10Br2N2OS and a molecular weight of 402.11 g/mol. Its IUPAC name is (6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone
PubChem CID107959291
Molecular FormulaC13H10Br2N2OS
Molecular Weight402.11 g/mol
Exact Mass399.89
IUPAC Name(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1cc(Br)sc1Br)CC2
InChIInChI=1S/C13H10Br2N2OS/c14-11-6-9(12(15)19-11)13(18)17-4-3-7-1-2-8(16)5-10(7)17/h1-2,5-6H,3-4,16H2
InChIKeyNKKNZVASSIZZDN-UHFFFAOYSA-N
XLogP4.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.11
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
CID 65306128
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone
CID 28978839
(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
CID 28776949
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107986323
(6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107674453
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
(6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 65205964
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
CID 20773361
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone (CID 107959291) is (6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for (6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone is Nc1ccc2c(c1)N(C(=O)c1cc(Br)sc1Br)CC2.
What is the InChIKey of (6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is NKKNZVASSIZZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2OS/c14-11-6-9(12(15)19-11)13(18)17-4-3-7-1-2-8(16)5-10(7)17/h1-2,5-6H,3-4,16H2.
What are the key properties of (6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone?
(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone has a molecular weight of 402.11 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 107959291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).