3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide

C16H19FN2O — CID 43783758

IUPAC3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)C1CC2C=CC1C2
InChIInChI=1S/C16H19FN2O/c1-9(13-7-10-2-3-11(13)6-10)19-15-8-12(16(18)20)4-5-14(15)17/h2-5,8-11,13,19H,6-7H2,1H3,(H2,18,20)
InChIKeyMBFCTKISRZEEIX-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.94
Rot. Bonds4

About 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide

3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide (PubChem CID 43783758) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide
PubChem CID43783758
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)C1CC2C=CC1C2
InChIInChI=1S/C16H19FN2O/c1-9(13-7-10-2-3-11(13)6-10)19-15-8-12(16(18)20)4-5-14(15)17/h2-5,8-11,13,19H,6-7H2,1H3,(H2,18,20)
InChIKeyMBFCTKISRZEEIX-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4-difluoro-5-nitroaniline
CID 43787026
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline
CID 43762976
4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
CID 43701049
4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43701200
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-chloro-4-methylaniline
CID 43772670
3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
CID 43701132
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-propan-2-ylaniline
CID 43768990
4-fluoro-3-(thiolan-3-ylamino)benzamide
CID 43700954

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide (CID 43783758) is 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide is CC(Nc1cc(C(N)=O)ccc1F)C1CC2C=CC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide?
The InChIKey is MBFCTKISRZEEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-9(13-7-10-2-3-11(13)6-10)19-15-8-12(16(18)20)4-5-14(15)17/h2-5,8-11,13,19H,6-7H2,1H3,(H2,18,20).
What are the key properties of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide?
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide has a molecular weight of 274.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide is sourced from PubChem (CID 43783758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).