1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone

C12H10BrNOS — CID 64829244

IUPAC1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
SMILESNc1ccccc1C(=O)Cc1sccc1Br
InChIInChI=1S/C12H10BrNOS/c13-9-5-6-16-12(9)7-11(15)8-3-1-2-4-10(8)14/h1-6H,7,14H2
InChIKeyCDGGNPVMMXAUTH-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.52
Rot. Bonds3

About 1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone

1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone (PubChem CID 64829244) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
PubChem CID64829244
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
SMILESNc1ccccc1C(=O)Cc1sccc1Br
InChIInChI=1S/C12H10BrNOS/c13-9-5-6-16-12(9)7-11(15)8-3-1-2-4-10(8)14/h1-6H,7,14H2
InChIKeyCDGGNPVMMXAUTH-UHFFFAOYSA-N
XLogP3.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.52
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

2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
CID 62621967
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)ethanone
CID 114969828
1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969803
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114969742
2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969747
1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 62828798
3-amino-2-[(3-bromothiophen-2-yl)methylamino]benzoic acid
CID 112579285
2-(3-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610459
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
CID 62622434
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798
2-(3-bromothiophen-2-yl)-1-(3-chlorophenyl)ethanone
CID 62620007

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone (CID 64829244) is 1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone is Nc1ccccc1C(=O)Cc1sccc1Br.
What is the InChIKey of 1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone?
The InChIKey is CDGGNPVMMXAUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c13-9-5-6-16-12(9)7-11(15)8-3-1-2-4-10(8)14/h1-6H,7,14H2.
What are the key properties of 1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone?
1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone has a molecular weight of 296.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 64829244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).