(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C14H17BrFNO — CID 83226850

IUPAC(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cccc(F)c1Br
InChIInChI=1S/C14H17BrFNO/c1-3-10-8-7-9(2)17(10)14(18)11-5-4-6-12(16)13(11)15/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyJSLAQWOJKGVUIO-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.99
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83226850) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83226850
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cccc(F)c1Br
InChIInChI=1S/C14H17BrFNO/c1-3-10-8-7-9(2)17(10)14(18)11-5-4-6-12(16)13(11)15/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyJSLAQWOJKGVUIO-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83136204
(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83217631
(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 83174368
(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone
CID 83152477
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 83220278
(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975920
(2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83218145
(2,5-difluoro-4-nitrophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 115888735
(2-ethyl-5-methylpyrrolidin-1-yl)-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 83220602
(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83137505
(2-ethyl-5-methylpyrrolidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone
CID 83136633
(2-bromo-3-fluorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102958136

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83226850) is (2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is JSLAQWOJKGVUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-3-10-8-7-9(2)17(10)14(18)11-5-4-6-12(16)13(11)15/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 314.20 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83226850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).