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

C15H13FN2OS — CID 43580937

IUPACN-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(F)c2C(N)=S)c1
InChIInChI=1S/C15H13FN2OS/c1-9-4-2-5-10(8-9)15(19)18-12-7-3-6-11(16)13(12)14(17)20/h2-8H,1H3,(H2,17,20)(H,18,19)
InChIKeyUHHFNYRCNBEKCX-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.02
Rot. Bonds3

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

N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide (PubChem CID 43580937) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
PubChem CID43580937
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC NameN-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(F)c2C(N)=S)c1
InChIInChI=1S/C15H13FN2OS/c1-9-4-2-5-10(8-9)15(19)18-12-7-3-6-11(16)13(12)14(17)20/h2-8H,1H3,(H2,17,20)(H,18,19)
InChIKeyUHHFNYRCNBEKCX-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.02
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)-3-fluoro-5-methylbenzamide
CID 107805792
N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 62387868
3-bromo-N-(2-carbamothioyl-3-fluorophenyl)-4-chlorobenzamide
CID 107999033
N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
CID 63048603
N-(2-carbamothioyl-3-fluorophenyl)-3-chloro-2-methylbenzamide
CID 107096806
N-(2-carbamothioyl-3-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722046
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
N-(5-bromo-2-carbamothioylphenyl)-3-methylbenzamide
CID 107798708
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
3-[(3-methylbenzoyl)amino]phthalic acid
CID 17172174

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide?
The IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide (CID 43580937) is N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(F)c2C(N)=S)c1.
What is the InChIKey of N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide?
The InChIKey is UHHFNYRCNBEKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-9-4-2-5-10(8-9)15(19)18-12-7-3-6-11(16)13(12)14(17)20/h2-8H,1H3,(H2,17,20)(H,18,19).
What are the key properties of N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide?
N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide has a molecular weight of 288.35 g/mol, XLogP of 3.02, 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)-3-methylbenzamide is sourced from PubChem (CID 43580937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).