N-(2-chlorocyclopentyl)-3-fluorobenzamide

C12H13ClFNO — CID 106443839

IUPACN-(2-chlorocyclopentyl)-3-fluorobenzamide
SMILESO=C(NC1CCCC1Cl)c1cccc(F)c1
InChIInChI=1S/C12H13ClFNO/c13-10-5-2-6-11(10)15-12(16)8-3-1-4-9(14)7-8/h1,3-4,7,10-11H,2,5-6H2,(H,15,16)
InChIKeyUATIGTAEFZBVRJ-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.72
Rot. Bonds2

About N-(2-chlorocyclopentyl)-3-fluorobenzamide

N-(2-chlorocyclopentyl)-3-fluorobenzamide (PubChem CID 106443839) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-3-fluorobenzamide
PubChem CID106443839
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC NameN-(2-chlorocyclopentyl)-3-fluorobenzamide
SMILESO=C(NC1CCCC1Cl)c1cccc(F)c1
InChIInChI=1S/C12H13ClFNO/c13-10-5-2-6-11(10)15-12(16)8-3-1-4-9(14)7-8/h1,3-4,7,10-11H,2,5-6H2,(H,15,16)
InChIKeyUATIGTAEFZBVRJ-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.72
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

3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide
CID 62956397
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049
N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313
4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide
CID 106444087
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide
CID 47036307
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 50903491

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-3-fluorobenzamide?
The IUPAC name of N-(2-chlorocyclopentyl)-3-fluorobenzamide (CID 106443839) is N-(2-chlorocyclopentyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-3-fluorobenzamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-3-fluorobenzamide is O=C(NC1CCCC1Cl)c1cccc(F)c1.
What is the InChIKey of N-(2-chlorocyclopentyl)-3-fluorobenzamide?
The InChIKey is UATIGTAEFZBVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-10-5-2-6-11(10)15-12(16)8-3-1-4-9(14)7-8/h1,3-4,7,10-11H,2,5-6H2,(H,15,16).
What are the key properties of N-(2-chlorocyclopentyl)-3-fluorobenzamide?
N-(2-chlorocyclopentyl)-3-fluorobenzamide has a molecular weight of 241.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-3-fluorobenzamide is sourced from PubChem (CID 106443839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).