4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide

C16H13F2NOS — CID 17478139

IUPAC4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
SMILESO=C(NC1CCSc2c(F)cccc21)c1ccc(F)cc1
InChIInChI=1S/C16H13F2NOS/c17-11-6-4-10(5-7-11)16(20)19-14-8-9-21-15-12(14)2-1-3-13(15)18/h1-7,14H,8-9H2,(H,19,20)
InChIKeyDYQHJLIPBQUEBM-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.93
Rot. Bonds2

About 4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide

4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide (PubChem CID 17478139) has the molecular formula C16H13F2NOS and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
PubChem CID17478139
Molecular FormulaC16H13F2NOS
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
SMILESO=C(NC1CCSc2c(F)cccc21)c1ccc(F)cc1
InChIInChI=1S/C16H13F2NOS/c17-11-6-4-10(5-7-11)16(20)19-14-8-9-21-15-12(14)2-1-3-13(15)18/h1-7,14H,8-9H2,(H,19,20)
InChIKeyDYQHJLIPBQUEBM-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26006701
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 25393472
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylsulfamoyl)benzamide
CID 55462599
4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26007631
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 17475582
4-acetyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1H-pyrrole-2-carboxamide
CID 25402071
N-[3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-oxopropyl]benzamide
CID 17394546
N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-nitrobenzamide
CID 25401649
1-(2,4-difluorophenyl)-3-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 27870358
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014064
2-(4-chlorophenyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17484447

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide (CID 17478139) is 4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide is O=C(NC1CCSc2c(F)cccc21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide?
The InChIKey is DYQHJLIPBQUEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NOS/c17-11-6-4-10(5-7-11)16(20)19-14-8-9-21-15-12(14)2-1-3-13(15)18/h1-7,14H,8-9H2,(H,19,20).
What are the key properties of 4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide?
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide has a molecular weight of 305.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide is sourced from PubChem (CID 17478139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).