N-cyclopentyloxy-3,5-difluorobenzamide

C12H13F2NO2 — CID 83202361

IUPACN-cyclopentyloxy-3,5-difluorobenzamide
SMILESO=C(NOC1CCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2NO2/c13-9-5-8(6-10(14)7-9)12(16)15-17-11-3-1-2-4-11/h5-7,11H,1-4H2,(H,15,16)
InChIKeyWAVOJVSNLDDSNB-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.57
Rot. Bonds3

About N-cyclopentyloxy-3,5-difluorobenzamide

N-cyclopentyloxy-3,5-difluorobenzamide (PubChem CID 83202361) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-cyclopentyloxy-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-cyclopentyloxy-3,5-difluorobenzamide
PubChem CID83202361
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC NameN-cyclopentyloxy-3,5-difluorobenzamide
SMILESO=C(NOC1CCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2NO2/c13-9-5-8(6-10(14)7-9)12(16)15-17-11-3-1-2-4-11/h5-7,11H,1-4H2,(H,15,16)
InChIKeyWAVOJVSNLDDSNB-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-3,5-difluorobenzamide?
The IUPAC name of N-cyclopentyloxy-3,5-difluorobenzamide (CID 83202361) is N-cyclopentyloxy-3,5-difluorobenzamide.
What is the SMILES notation for N-cyclopentyloxy-3,5-difluorobenzamide?
The canonical SMILES for N-cyclopentyloxy-3,5-difluorobenzamide is O=C(NOC1CCCC1)c1cc(F)cc(F)c1.
What is the InChIKey of N-cyclopentyloxy-3,5-difluorobenzamide?
The InChIKey is WAVOJVSNLDDSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-5-8(6-10(14)7-9)12(16)15-17-11-3-1-2-4-11/h5-7,11H,1-4H2,(H,15,16).
What are the key properties of N-cyclopentyloxy-3,5-difluorobenzamide?
N-cyclopentyloxy-3,5-difluorobenzamide has a molecular weight of 241.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-3,5-difluorobenzamide is sourced from PubChem (CID 83202361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).