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

C14H14F5NO — CID 606840

IUPACN-cycloheptyl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(NC1CCCCCC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H14F5NO/c15-9-8(10(16)12(18)13(19)11(9)17)14(21)20-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,20,21)
InChIKeyJMORWYMLHJSFMP-UHFFFAOYSA-N
MW307.26 g/mol
LogP3.83
Rot. Bonds2

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

N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 606840) has the molecular formula C14H14F5NO and a molecular weight of 307.26 g/mol. Its IUPAC name is N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-cycloheptyl-2,3,4,5,6-pentafluorobenzamide
PubChem CID606840
Molecular FormulaC14H14F5NO
Molecular Weight307.26 g/mol
Exact Mass307.10
IUPAC NameN-cycloheptyl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(NC1CCCCCC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H14F5NO/c15-9-8(10(16)12(18)13(19)11(9)17)14(21)20-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,20,21)
InChIKeyJMORWYMLHJSFMP-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 53.83
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'}

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide (CID 606840) is N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide is O=C(NC1CCCCCC1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is JMORWYMLHJSFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F5NO/c15-9-8(10(16)12(18)13(19)11(9)17)14(21)20-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,20,21).
What are the key properties of N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide?
N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 307.26 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 606840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).