4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide

C16H15FN2OS — CID 55729757

IUPAC4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1F)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H15FN2OS/c1-19(10-13-4-2-3-5-14(13)17)16(20)12-8-6-11(7-9-12)15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyOMFXUZAHWXECAS-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.73
Rot. Bonds4

About 4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide

4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 55729757) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID55729757
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1F)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C16H15FN2OS/c1-19(10-13-4-2-3-5-14(13)17)16(20)12-8-6-11(7-9-12)15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyOMFXUZAHWXECAS-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.73
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

N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
N-[(2-fluorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 134057045
N-(2-amino-2-sulfanylideneethyl)-N'-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 61412898
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
N-(3-amino-3-sulfanylidenepropyl)-3-[(2-fluorophenyl)methyl-methylamino]-N-methylpropanamide
CID 61412837
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
CID 60922987
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylbenzoyl)benzamide
CID 36816287
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide (CID 55729757) is 4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccccc1F)C(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is OMFXUZAHWXECAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-19(10-13-4-2-3-5-14(13)17)16(20)12-8-6-11(7-9-12)15(18)21/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 55729757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).