N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide

C15H12F2N2OS — CID 63048603

IUPACN-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cccc(F)c1C(N)=S
InChIInChI=1S/C15H12F2N2OS/c1-8-5-6-9(16)7-10(8)15(20)19-12-4-2-3-11(17)13(12)14(18)21/h2-7H,1H3,(H2,18,21)(H,19,20)
InChIKeyKUGDBGZKLRGLLF-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.16
Rot. Bonds3

About N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide

N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide (PubChem CID 63048603) has the molecular formula C15H12F2N2OS and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
PubChem CID63048603
Molecular FormulaC15H12F2N2OS
Molecular Weight306.34 g/mol
Exact Mass306.06
IUPAC NameN-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cccc(F)c1C(N)=S
InChIInChI=1S/C15H12F2N2OS/c1-8-5-6-9(16)7-10(8)15(20)19-12-4-2-3-11(17)13(12)14(18)21/h2-7H,1H3,(H2,18,21)(H,19,20)
InChIKeyKUGDBGZKLRGLLF-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515
2-bromo-N-(2-carbamothioyl-3-fluorophenyl)-4-fluorobenzamide
CID 43580960
N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
CID 107805746
N-(2-carbamothioyl-4-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82870456
N-(2-carbamothioyl-3-fluorophenyl)-3-chloro-2-methylbenzamide
CID 107096806
N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722046
N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
CID 43580937
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
5-fluoro-N-(2-iodophenyl)-2-methylbenzamide
CID 33037108
5-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylbenzamide
CID 76932769
N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 107805792
5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide
CID 107805652

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide (CID 63048603) is N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1cccc(F)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide?
The InChIKey is KUGDBGZKLRGLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2OS/c1-8-5-6-9(16)7-10(8)15(20)19-12-4-2-3-11(17)13(12)14(18)21/h2-7H,1H3,(H2,18,21)(H,19,20).
What are the key properties of N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide?
N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide has a molecular weight of 306.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 63048603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).