N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide

C15H20FNOS — CID 46231327

IUPACN-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide
SMILESO=C(NCCCCC/C=C(\F)CS)c1ccccc1
InChIInChI=1S/C15H20FNOS/c16-14(12-19)10-6-1-2-7-11-17-15(18)13-8-4-3-5-9-13/h3-5,8-10,19H,1-2,6-7,11-12H2,(H,17,18)/b14-10-
InChIKeyCUCVVCJQZXFUIN-UVTDQMKNSA-N
MW281.40 g/mol
LogP3.76
Rot. Bonds8

About N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide

N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide (PubChem CID 46231327) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide
PubChem CID46231327
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC NameN-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide
SMILESO=C(NCCCCC/C=C(\F)CS)c1ccccc1
InChIInChI=1S/C15H20FNOS/c16-14(12-19)10-6-1-2-7-11-17-15(18)13-8-4-3-5-9-13/h3-5,8-10,19H,1-2,6-7,11-12H2,(H,17,18)/b14-10-
InChIKeyCUCVVCJQZXFUIN-UVTDQMKNSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide?
The IUPAC name of N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide (CID 46231327) is N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide.
What is the SMILES notation for N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide?
The canonical SMILES for N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide is O=C(NCCCCC/C=C(\F)CS)c1ccccc1.
What is the InChIKey of N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide?
The InChIKey is CUCVVCJQZXFUIN-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H20FNOS/c16-14(12-19)10-6-1-2-7-11-17-15(18)13-8-4-3-5-9-13/h3-5,8-10,19H,1-2,6-7,11-12H2,(H,17,18)/b14-10-.
What are the key properties of N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide?
N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide has a molecular weight of 281.40 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-7-fluoro-8-sulfanyloct-6-enyl]benzamide is sourced from PubChem (CID 46231327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).