(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone

C13H11BrN2OS — CID 114455880

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
SMILESNc1cccc2c1N(C(=O)c1sccc1Br)CC2
InChIInChI=1S/C13H11BrN2OS/c14-9-5-7-18-12(9)13(17)16-6-4-8-2-1-3-10(15)11(8)16/h1-3,5,7H,4,6,15H2
InChIKeyMAOKVDANXUBFIP-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.30
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone (PubChem CID 114455880) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
PubChem CID114455880
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
SMILESNc1cccc2c1N(C(=O)c1sccc1Br)CC2
InChIInChI=1S/C13H11BrN2OS/c14-9-5-7-18-12(9)13(17)16-6-4-8-2-1-3-10(15)11(8)16/h1-3,5,7H,4,6,15H2
InChIKeyMAOKVDANXUBFIP-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.30
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

(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 83212528
(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone
CID 114455629
(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 61090033
(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114455584
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
(3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 55226864
(7-amino-2,3-dihydroindol-1-yl)-(5-nitrothiophen-2-yl)methanone
CID 114455856
(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone (CID 114455880) is (7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone is Nc1cccc2c1N(C(=O)c1sccc1Br)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone?
The InChIKey is MAOKVDANXUBFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c14-9-5-7-18-12(9)13(17)16-6-4-8-2-1-3-10(15)11(8)16/h1-3,5,7H,4,6,15H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone has a molecular weight of 323.22 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone is sourced from PubChem (CID 114455880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).