2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide

C16H20FNO — CID 4810893

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CC1CC2CCC1C2)NCc1ccc(F)cc1
InChIInChI=1S/C16H20FNO/c17-15-5-2-11(3-6-15)10-18-16(19)9-14-8-12-1-4-13(14)7-12/h2-3,5-6,12-14H,1,4,7-10H2,(H,18,19)
InChIKeyOEGYOPGVJAGHOM-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.27
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4810893) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4810893
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CC1CC2CCC1C2)NCc1ccc(F)cc1
InChIInChI=1S/C16H20FNO/c17-15-5-2-11(3-6-15)10-18-16(19)9-14-8-12-1-4-13(14)7-12/h2-3,5-6,12-14H,1,4,7-10H2,(H,18,19)
InChIKeyOEGYOPGVJAGHOM-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 4810893) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CC1CC2CCC1C2)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is OEGYOPGVJAGHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-15-5-2-11(3-6-15)10-18-16(19)9-14-8-12-1-4-13(14)7-12/h2-3,5-6,12-14H,1,4,7-10H2,(H,18,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 261.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4810893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).