N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide

C16H14FNOS — CID 18115527

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide
SMILESO=C(NC1CCSc2ccccc21)c1ccccc1F
InChIInChI=1S/C16H14FNOS/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19)
InChIKeyHJIKROTZNFRHDR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.79
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide (PubChem CID 18115527) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide
PubChem CID18115527
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide
SMILESO=C(NC1CCSc2ccccc21)c1ccccc1F
InChIInChI=1S/C16H14FNOS/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19)
InChIKeyHJIKROTZNFRHDR-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide (CID 18115527) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide is O=C(NC1CCSc2ccccc21)c1ccccc1F.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide?
The InChIKey is HJIKROTZNFRHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c17-13-7-3-1-5-11(13)16(19)18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8,14H,9-10H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide has a molecular weight of 287.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 18115527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).