N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide

C16H10F3NO2S — CID 134348591

IUPACN-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(F)c2c1SCCC2=O
InChIInChI=1S/C16H10F3NO2S/c17-10-3-1-8(7-12(10)19)20-16(22)9-2-4-11(18)14-13(21)5-6-23-15(9)14/h1-4,7H,5-6H2,(H,20,22)
InChIKeyFLTGAVCZRQPCMC-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.03
Rot. Bonds2

About N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide

N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide (PubChem CID 134348591) has the molecular formula C16H10F3NO2S and a molecular weight of 337.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide
PubChem CID134348591
Molecular FormulaC16H10F3NO2S
Molecular Weight337.32 g/mol
Exact Mass337.04
IUPAC NameN-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(F)c2c1SCCC2=O
InChIInChI=1S/C16H10F3NO2S/c17-10-3-1-8(7-12(10)19)20-16(22)9-2-4-11(18)14-13(21)5-6-23-15(9)14/h1-4,7H,5-6H2,(H,20,22)
InChIKeyFLTGAVCZRQPCMC-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
4-[(3,4-difluorophenyl)carbamoyl]-5-methylthiophene-2-sulfinic acid
CID 135283853
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
CID 890522
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 118684023
methyl N-[(4S)-8-[(3-chloro-4-fluorophenyl)carbamoyl]-5-fluoro-3,4-dihydro-2H-thiochromen-4-yl]carbamate
CID 139340173
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
[8-[(3,4-difluorophenyl)carbamoyl]-5-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamic acid
CID 134348569
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
N-(3,4-difluorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497927
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide (CID 134348591) is N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c2c1SCCC2=O.
What is the InChIKey of N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
The InChIKey is FLTGAVCZRQPCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2S/c17-10-3-1-8(7-12(10)19)20-16(22)9-2-4-11(18)14-13(21)5-6-23-15(9)14/h1-4,7H,5-6H2,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide has a molecular weight of 337.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-fluoro-4-oxo-2,3-dihydrothiochromene-8-carboxamide is sourced from PubChem (CID 134348591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).