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

C16H19FN2O — CID 4149105

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide
SMILESCC(=NNC(=O)c1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C16H19FN2O/c1-10(14-9-11-6-7-12(14)8-11)18-19-16(20)13-4-2-3-5-15(13)17/h2-5,11-12,14H,6-9H2,1H3,(H,19,20)
InChIKeySFMMVSNCYBJZLE-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.37
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide (PubChem CID 4149105) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide
PubChem CID4149105
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide
SMILESCC(=NNC(=O)c1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C16H19FN2O/c1-10(14-9-11-6-7-12(14)8-11)18-19-16(20)13-4-2-3-5-15(13)17/h2-5,11-12,14H,6-9H2,1H3,(H,19,20)
InChIKeySFMMVSNCYBJZLE-UHFFFAOYSA-N
XLogP3.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide
CID 98659475
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-methylbenzamide
CID 3604232
N-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
CID 129439872
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2,4-dichlorobenzamide
CID 6949140
2-bicyclo[2.2.1]heptanyl-(2-fluorophenyl)methanone
CID 12768266
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone
CID 99719002
2-fluoro-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]benzamide
CID 56697640
N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide
CID 11895622
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-nitrobenzamide
CID 98743453
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4-dimethoxybenzamide
CID 7459310
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]butanediamide
CID 3254874
N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4,5-trimethoxybenzamide
CID 7256309

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide (CID 4149105) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide is CC(=NNC(=O)c1ccccc1F)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide?
The InChIKey is SFMMVSNCYBJZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10(14-9-11-6-7-12(14)8-11)18-19-16(20)13-4-2-3-5-15(13)17/h2-5,11-12,14H,6-9H2,1H3,(H,19,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide has a molecular weight of 274.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 4149105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).