2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide

C12H12BrClFNO — CID 106444049

IUPAC2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
SMILESO=C(NC1CCCC1Cl)c1ccc(F)cc1Br
InChIInChI=1S/C12H12BrClFNO/c13-9-6-7(15)4-5-8(9)12(17)16-11-3-1-2-10(11)14/h4-6,10-11H,1-3H2,(H,16,17)
InChIKeyFOULXYCQQWAHHT-UHFFFAOYSA-N
MW320.59 g/mol
LogP3.48
Rot. Bonds2

About 2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide

2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide (PubChem CID 106444049) has the molecular formula C12H12BrClFNO and a molecular weight of 320.59 g/mol. Its IUPAC name is 2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
PubChem CID106444049
Molecular FormulaC12H12BrClFNO
Molecular Weight320.59 g/mol
Exact Mass318.98
IUPAC Name2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
SMILESO=C(NC1CCCC1Cl)c1ccc(F)cc1Br
InChIInChI=1S/C12H12BrClFNO/c13-9-6-7(15)4-5-8(9)12(17)16-11-3-1-2-10(11)14/h4-6,10-11H,1-3H2,(H,16,17)
InChIKeyFOULXYCQQWAHHT-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
N-(2-chlorocyclopentyl)-3-fluorobenzamide
CID 106443839
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide
CID 64922806
2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80602019
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106131826
N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide
CID 63251463

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide (CID 106444049) is 2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide is O=C(NC1CCCC1Cl)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide?
The InChIKey is FOULXYCQQWAHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClFNO/c13-9-6-7(15)4-5-8(9)12(17)16-11-3-1-2-10(11)14/h4-6,10-11H,1-3H2,(H,16,17).
What are the key properties of 2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide?
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide has a molecular weight of 320.59 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide is sourced from PubChem (CID 106444049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).