N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide

C12H10F5NO — CID 607056

IUPACN-cyclopentyl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(NC1CCCC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H10F5NO/c13-7-6(8(14)10(16)11(17)9(7)15)12(19)18-5-3-1-2-4-5/h5H,1-4H2,(H,18,19)
InChIKeyLLGKSYFMTYWFFE-UHFFFAOYSA-N
MW279.21 g/mol
LogP3.05
Rot. Bonds2

About N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide

N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 607056) has the molecular formula C12H10F5NO and a molecular weight of 279.21 g/mol. Its IUPAC name is N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2,3,4,5,6-pentafluorobenzamide
PubChem CID607056
Molecular FormulaC12H10F5NO
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC NameN-cyclopentyl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(NC1CCCC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H10F5NO/c13-7-6(8(14)10(16)11(17)9(7)15)12(19)18-5-3-1-2-4-5/h5H,1-4H2,(H,18,19)
InChIKeyLLGKSYFMTYWFFE-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide (CID 607056) is N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide is O=C(NC1CCCC1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is LLGKSYFMTYWFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5NO/c13-7-6(8(14)10(16)11(17)9(7)15)12(19)18-5-3-1-2-4-5/h5H,1-4H2,(H,18,19).
What are the key properties of N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide?
N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 279.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 607056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).