(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C15H14BrNOS — CID 42961741

IUPAC(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCCC1c1ccsc1
InChIInChI=1S/C15H14BrNOS/c16-13-5-3-11(4-6-13)15(18)17-8-1-2-14(17)12-7-9-19-10-12/h3-7,9-10,14H,1-2,8H2
InChIKeyBBSIUJQVKWJHPC-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.49
Rot. Bonds2

About (4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 42961741) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is (4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID42961741
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCCC1c1ccsc1
InChIInChI=1S/C15H14BrNOS/c16-13-5-3-11(4-6-13)15(18)17-8-1-2-14(17)12-7-9-19-10-12/h3-7,9-10,14H,1-2,8H2
InChIKeyBBSIUJQVKWJHPC-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(4-propan-2-ylsulfonylphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55776937
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51947990
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948024
(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 106544997
(4-bromophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 90522383
2,3-dihydro-1-benzofuran-5-yl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948031

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 42961741) is (4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(Br)cc1)N1CCCC1c1ccsc1.
What is the InChIKey of (4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is BBSIUJQVKWJHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-13-5-3-11(4-6-13)15(18)17-8-1-2-14(17)12-7-9-19-10-12/h3-7,9-10,14H,1-2,8H2.
What are the key properties of (4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 336.25 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 42961741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).