N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide

C12H13BrFNO — CID 898627

IUPACN-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCCC1
InChIInChI=1S/C12H13BrFNO/c13-9-5-6-11(10(14)7-9)15-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16)
InChIKeyHQTSJBZYDBSZBM-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.72
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide

N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide (PubChem CID 898627) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide
PubChem CID898627
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC NameN-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCCC1
InChIInChI=1S/C12H13BrFNO/c13-9-5-6-11(10(14)7-9)15-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16)
InChIKeyHQTSJBZYDBSZBM-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide (CID 898627) is N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide is O=C(Nc1ccc(Br)cc1F)C1CCCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide?
The InChIKey is HQTSJBZYDBSZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c13-9-5-6-11(10(14)7-9)15-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16).
What are the key properties of N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide?
N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide has a molecular weight of 286.14 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)cyclopentanecarboxamide is sourced from PubChem (CID 898627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).