(3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide

C17H23FN2O — CID 89153884

IUPAC(3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide
SMILESC=CCC(N)/C=C\CC(=O)NC1C=C2CC(F)CC2=CC1
InChIInChI=1S/C17H23FN2O/c1-2-4-15(19)5-3-6-17(21)20-16-8-7-12-9-14(18)10-13(12)11-16/h2-3,5,7,11,14-16H,1,4,6,8-10,19H2,(H,20,21)/b5-3-
InChIKeyIBGXTSYFLOACDP-HYXAFXHYSA-N
MW290.38 g/mol
LogP2.71
Rot. Bonds6

About (3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide

(3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide (PubChem CID 89153884) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide.

Molecular Properties

Compound Name(3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide
PubChem CID89153884
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide
SMILESC=CCC(N)/C=C\CC(=O)NC1C=C2CC(F)CC2=CC1
InChIInChI=1S/C17H23FN2O/c1-2-4-15(19)5-3-6-17(21)20-16-8-7-12-9-14(18)10-13(12)11-16/h2-3,5,7,11,14-16H,1,4,6,8-10,19H2,(H,20,21)/b5-3-
InChIKeyIBGXTSYFLOACDP-HYXAFXHYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide?
The IUPAC name of (3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide (CID 89153884) is (3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide.
What is the SMILES notation for (3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide?
The canonical SMILES for (3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide is C=CCC(N)/C=C\CC(=O)NC1C=C2CC(F)CC2=CC1.
What is the InChIKey of (3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide?
The InChIKey is IBGXTSYFLOACDP-HYXAFXHYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-2-4-15(19)5-3-6-17(21)20-16-8-7-12-9-14(18)10-13(12)11-16/h2-3,5,7,11,14-16H,1,4,6,8-10,19H2,(H,20,21)/b5-3-.
What are the key properties of (3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide?
(3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide has a molecular weight of 290.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-amino-N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)octa-3,7-dienamide is sourced from PubChem (CID 89153884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).