[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone

C15H14BrNO2 — CID 47313418

IUPAC[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c16-12-7-5-11(6-8-12)13-3-1-9-17(13)15(18)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2
InChIKeyZQKDHFOJIXLVQX-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.02
Rot. Bonds2

About [2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone

[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 47313418) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is [2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
PubChem CID47313418
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCC1c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c16-12-7-5-11(6-8-12)13-3-1-9-17(13)15(18)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2
InChIKeyZQKDHFOJIXLVQX-UHFFFAOYSA-N
XLogP4.02
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 74554943
(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51935584
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51930904
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
N-[4-(2-pyridin-4-ylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 24670276
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
[2-(4-bromophenyl)pyrrolidin-1-yl]-(5-chloro-2,4-dihydroxyphenyl)methanone
CID 71096055
N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55550875
N-[4-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55552482

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone (CID 47313418) is [2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCCC1c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ZQKDHFOJIXLVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-12-7-5-11(6-8-12)13-3-1-9-17(13)15(18)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2.
What are the key properties of [2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 320.19 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 47313418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).