(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone

C13H10Br2N2OS — CID 80537259

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone
SMILESNc1cccc2c1CCN2C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br2N2OS/c14-8-6-11(19-12(8)15)13(18)17-5-4-7-9(16)2-1-3-10(7)17/h1-3,6H,4-5,16H2
InChIKeyZPBTWZUCEDSMDW-UHFFFAOYSA-N
MW402.11 g/mol
LogP4.06
Rot. Bonds1

About (4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone

(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone (PubChem CID 80537259) has the molecular formula C13H10Br2N2OS and a molecular weight of 402.11 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone
PubChem CID80537259
Molecular FormulaC13H10Br2N2OS
Molecular Weight402.11 g/mol
Exact Mass399.89
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone
SMILESNc1cccc2c1CCN2C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br2N2OS/c14-8-6-11(19-12(8)15)13(18)17-5-4-7-9(16)2-1-3-10(7)17/h1-3,6H,4-5,16H2
InChIKeyZPBTWZUCEDSMDW-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

(4-amino-2,3-dihydroindol-1-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237157
1-(4,5-dibromothiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336639
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone
CID 107937533
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-methylphenyl)methanone
CID 104850612
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(4-amino-2,3-dihydroindol-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 107013248
(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721480
(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368569
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 83212525
(4,5-dibromothiophen-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 78967348
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 82712007
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-fluorophenyl)methanone
CID 82711987

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone (CID 80537259) is (4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone is Nc1cccc2c1CCN2C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone?
The InChIKey is ZPBTWZUCEDSMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2OS/c14-8-6-11(19-12(8)15)13(18)17-5-4-7-9(16)2-1-3-10(7)17/h1-3,6H,4-5,16H2.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-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 (4-amino-2,3-dihydroindol-1-yl)-(4,5-dibromothiophen-2-yl)methanone is sourced from PubChem (CID 80537259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).