4-fluoro-3-(thiolan-3-ylamino)benzamide

C11H13FN2OS — CID 43700954

IUPAC4-fluoro-3-(thiolan-3-ylamino)benzamide
SMILESNC(=O)c1ccc(F)c(NC2CCSC2)c1
InChIInChI=1S/C11H13FN2OS/c12-9-2-1-7(11(13)15)5-10(9)14-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6H2,(H2,13,15)
InChIKeyFMCCDQCCSCVWQK-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.84
Rot. Bonds3

About 4-fluoro-3-(thiolan-3-ylamino)benzamide

4-fluoro-3-(thiolan-3-ylamino)benzamide (PubChem CID 43700954) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-fluoro-3-(thiolan-3-ylamino)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(thiolan-3-ylamino)benzamide
PubChem CID43700954
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name4-fluoro-3-(thiolan-3-ylamino)benzamide
SMILESNC(=O)c1ccc(F)c(NC2CCSC2)c1
InChIInChI=1S/C11H13FN2OS/c12-9-2-1-7(11(13)15)5-10(9)14-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6H2,(H2,13,15)
InChIKeyFMCCDQCCSCVWQK-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(thian-4-ylamino)benzamide
CID 43679588
4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide
CID 114817334
4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 62975237
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
4-amino-3-(cyclopropylamino)benzamide
CID 63355783
4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine
CID 103062345
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-4-fluorobenzamide
CID 82687291
3-[(thiolan-3-ylamino)methyl]benzamide
CID 43664732
4-fluoro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzamide
CID 82852777
5-bromo-2-(thiolan-3-ylamino)benzoic acid
CID 103064834
3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 60849041
4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 116530881

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(thiolan-3-ylamino)benzamide?
The IUPAC name of 4-fluoro-3-(thiolan-3-ylamino)benzamide (CID 43700954) is 4-fluoro-3-(thiolan-3-ylamino)benzamide.
What is the SMILES notation for 4-fluoro-3-(thiolan-3-ylamino)benzamide?
The canonical SMILES for 4-fluoro-3-(thiolan-3-ylamino)benzamide is NC(=O)c1ccc(F)c(NC2CCSC2)c1.
What is the InChIKey of 4-fluoro-3-(thiolan-3-ylamino)benzamide?
The InChIKey is FMCCDQCCSCVWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-9-2-1-7(11(13)15)5-10(9)14-8-3-4-16-6-8/h1-2,5,8,14H,3-4,6H2,(H2,13,15).
What are the key properties of 4-fluoro-3-(thiolan-3-ylamino)benzamide?
4-fluoro-3-(thiolan-3-ylamino)benzamide has a molecular weight of 240.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(thiolan-3-ylamino)benzamide is sourced from PubChem (CID 43700954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).