5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C15H20BrFN2 — CID 79544499

IUPAC5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESFc1ccc(Br)cc1NC1CCCC1C1CCCN1
InChIInChI=1S/C15H20BrFN2/c16-10-6-7-12(17)15(9-10)19-14-4-1-3-11(14)13-5-2-8-18-13/h6-7,9,11,13-14,18-19H,1-5,8H2
InChIKeyCYVDWOPUSJAHOV-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.92
Rot. Bonds3

About 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 79544499) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID79544499
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC Name5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESFc1ccc(Br)cc1NC1CCCC1C1CCCN1
InChIInChI=1S/C15H20BrFN2/c16-10-6-7-12(17)15(9-10)19-14-4-1-3-11(14)13-5-2-8-18-13/h6-7,9,11,13-14,18-19H,1-5,8H2
InChIKeyCYVDWOPUSJAHOV-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 79544499) is 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is Fc1ccc(Br)cc1NC1CCCC1C1CCCN1.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is CYVDWOPUSJAHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c16-10-6-7-12(17)15(9-10)19-14-4-1-3-11(14)13-5-2-8-18-13/h6-7,9,11,13-14,18-19H,1-5,8H2.
What are the key properties of 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 327.24 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79544499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).