N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide

C16H13FN2OS — CID 932733

IUPACN-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide
SMILESO=C(NC(=S)N1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2OS/c17-13-7-5-12(6-8-13)15(20)18-16(21)19-10-9-11-3-1-2-4-14(11)19/h1-8H,9-10H2,(H,18,20,21)
InChIKeyLIIWGRKSZQAYNX-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.90
Rot. Bonds1

About N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide

N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide (PubChem CID 932733) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide
PubChem CID932733
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC NameN-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide
SMILESO=C(NC(=S)N1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2OS/c17-13-7-5-12(6-8-13)15(20)18-16(21)19-10-9-11-3-1-2-4-14(11)19/h1-8H,9-10H2,(H,18,20,21)
InChIKeyLIIWGRKSZQAYNX-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2,3-dihydroindole-1-carbothioylcarbamoyl)benzoate
CID 17178494
N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953015
N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
CID 905190
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione
CID 82123544
N-(2,3-dihydroindole-1-carbothioyl)-3-nitrobenzamide
CID 916839
N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide
CID 17142661
N-(4-chlorobenzoyl)-2,3-dihydroindole-1-carboxamide
CID 23992308
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 2661473
3-bromo-N-(2,3-dihydroindole-1-carbothioyl)-4-hexoxybenzamide
CID 4959758
N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide
CID 4981955
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide?
The IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide (CID 932733) is N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide.
What is the SMILES notation for N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide?
The canonical SMILES for N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide is O=C(NC(=S)N1CCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide?
The InChIKey is LIIWGRKSZQAYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-13-7-5-12(6-8-13)15(20)18-16(21)19-10-9-11-3-1-2-4-14(11)19/h1-8H,9-10H2,(H,18,20,21).
What are the key properties of N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide?
N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide has a molecular weight of 300.36 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide is sourced from PubChem (CID 932733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).