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

C16H19F2NO — CID 5049786

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1F)C1CC2CCC1C2
InChIInChI=1S/C16H19F2NO/c1-9(14-7-10-2-3-11(14)6-10)19-16(20)13-5-4-12(17)8-15(13)18/h4-5,8-11,14H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyQHQBZSGMQZRVHL-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.52
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide (PubChem CID 5049786) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide
PubChem CID5049786
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1F)C1CC2CCC1C2
InChIInChI=1S/C16H19F2NO/c1-9(14-7-10-2-3-11(14)6-10)19-16(20)13-5-4-12(17)8-15(13)18/h4-5,8-11,14H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyQHQBZSGMQZRVHL-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.52
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]-2,4-difluorobenzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide (CID 5049786) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide is CC(NC(=O)c1ccc(F)cc1F)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide?
The InChIKey is QHQBZSGMQZRVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-9(14-7-10-2-3-11(14)6-10)19-16(20)13-5-4-12(17)8-15(13)18/h4-5,8-11,14H,2-3,6-7H2,1H3,(H,19,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide has a molecular weight of 279.33 g/mol, XLogP of 3.52, 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]-2,4-difluorobenzamide is sourced from PubChem (CID 5049786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).