N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide

C16H20FNO — CID 5226154

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)C1CC2CCC1C2
InChIInChI=1S/C16H20FNO/c1-10(15-9-11-2-3-13(15)8-11)18-16(19)12-4-6-14(17)7-5-12/h4-7,10-11,13,15H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyKXLUUWSQRFEENC-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide (PubChem CID 5226154) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide
PubChem CID5226154
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)C1CC2CCC1C2
InChIInChI=1S/C16H20FNO/c1-10(15-9-11-2-3-13(15)8-11)18-16(19)12-4-6-14(17)7-5-12/h4-7,10-11,13,15H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyKXLUUWSQRFEENC-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide (CID 5226154) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide?
The InChIKey is KXLUUWSQRFEENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10(15-9-11-2-3-13(15)8-11)18-16(19)12-4-6-14(17)7-5-12/h4-7,10-11,13,15H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide has a molecular weight of 261.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 5226154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).