N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide

C15H12F2N2OS — CID 82683459

IUPACN-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2C(N)=S)c(F)c1
InChIInChI=1S/C15H12F2N2OS/c1-8-2-4-10(12(17)6-8)15(20)19-13-5-3-9(16)7-11(13)14(18)21/h2-7H,1H3,(H2,18,21)(H,19,20)
InChIKeyYVZPWCFVBUDIFY-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.16
Rot. Bonds3

About N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide

N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide (PubChem CID 82683459) has the molecular formula C15H12F2N2OS and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide
PubChem CID82683459
Molecular FormulaC15H12F2N2OS
Molecular Weight306.34 g/mol
Exact Mass306.06
IUPAC NameN-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2C(N)=S)c(F)c1
InChIInChI=1S/C15H12F2N2OS/c1-8-2-4-10(12(17)6-8)15(20)19-13-5-3-9(16)7-11(13)14(18)21/h2-7H,1H3,(H2,18,21)(H,19,20)
InChIKeyYVZPWCFVBUDIFY-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

2-bromo-N-(2-carbamothioyl-4-fluorophenyl)-5-methylbenzamide
CID 82683771
N-(2-carbamothioyl-4-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82870456
N-(4-bromo-2-carbamothioylphenyl)-2-fluoro-5-methylbenzamide
CID 82695396
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
N-(2-chloro-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508
N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
CID 82016442
N-(2-carbamothioyl-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 82016661
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
CID 82015339
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
2-[(2,4-difluorophenyl)methylamino]-5-methylbenzenecarbothioamide
CID 107928886
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide (CID 82683459) is N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(F)cc2C(N)=S)c(F)c1.
What is the InChIKey of N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide?
The InChIKey is YVZPWCFVBUDIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2OS/c1-8-2-4-10(12(17)6-8)15(20)19-13-5-3-9(16)7-11(13)14(18)21/h2-7H,1H3,(H2,18,21)(H,19,20).
What are the key properties of N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide?
N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-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-4-fluorophenyl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 82683459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).