(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C15H13BrClNOS — CID 43004671

IUPAC(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCCC1c1cccs1
InChIInChI=1S/C15H13BrClNOS/c16-10-5-6-12(17)11(9-10)15(19)18-7-1-3-13(18)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2
InChIKeyGKLRQSVZNZDLEV-UHFFFAOYSA-N
MW370.70 g/mol
LogP5.14
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 43004671) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID43004671
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC Name(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCCC1c1cccs1
InChIInChI=1S/C15H13BrClNOS/c16-10-5-6-12(17)11(9-10)15(19)18-7-1-3-13(18)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2
InChIKeyGKLRQSVZNZDLEV-UHFFFAOYSA-N
XLogP5.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.70
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 43004671) is (5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1cc(Br)ccc1Cl)N1CCCC1c1cccs1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is GKLRQSVZNZDLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNOS/c16-10-5-6-12(17)11(9-10)15(19)18-7-1-3-13(18)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 370.70 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 43004671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).