(3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone

C13H10BrNOS — CID 55226864

IUPAC(3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1sccc1Br)N1Cc2ccccc2C1
InChIInChI=1S/C13H10BrNOS/c14-11-5-6-17-12(11)13(16)15-7-9-3-1-2-4-10(9)8-15/h1-6H,7-8H2
InChIKeyAWBYRZLSEYZVEY-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.67
Rot. Bonds1

About (3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone

(3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 55226864) has the molecular formula C13H10BrNOS and a molecular weight of 308.20 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID55226864
Molecular FormulaC13H10BrNOS
Molecular Weight308.20 g/mol
Exact Mass306.97
IUPAC Name(3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1sccc1Br)N1Cc2ccccc2C1
InChIInChI=1S/C13H10BrNOS/c14-11-5-6-17-12(11)13(16)15-7-9-3-1-2-4-10(9)8-15/h1-6H,7-8H2
InChIKeyAWBYRZLSEYZVEY-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130616054
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CID 115970006
(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
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(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 60778169
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CID 63801298
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
1-(3-bromothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63804287
(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
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CID 115871811
(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 114455880
(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 60790381

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 55226864) is (3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone is O=C(c1sccc1Br)N1Cc2ccccc2C1.
What is the InChIKey of (3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is AWBYRZLSEYZVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNOS/c14-11-5-6-17-12(11)13(16)15-7-9-3-1-2-4-10(9)8-15/h1-6H,7-8H2.
What are the key properties of (3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 308.20 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 55226864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).