2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide

C15H13FN2O2S — CID 881699

IUPAC2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide
SMILESCOc1ccccc1NC(=S)NC(=O)c1ccccc1F
InChIInChI=1S/C15H13FN2O2S/c1-20-13-9-5-4-8-12(13)17-15(21)18-14(19)10-6-2-3-7-11(10)16/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyQYBRNAFMKWBNDX-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.96
Rot. Bonds3

About 2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide

2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide (PubChem CID 881699) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide
PubChem CID881699
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide
SMILESCOc1ccccc1NC(=S)NC(=O)c1ccccc1F
InChIInChI=1S/C15H13FN2O2S/c1-20-13-9-5-4-8-12(13)17-15(21)18-14(19)10-6-2-3-7-11(10)16/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyQYBRNAFMKWBNDX-UHFFFAOYSA-N
XLogP2.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide (CID 881699) is 2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide is COc1ccccc1NC(=S)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide?
The InChIKey is QYBRNAFMKWBNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-20-13-9-5-4-8-12(13)17-15(21)18-14(19)10-6-2-3-7-11(10)16/h2-9H,1H3,(H2,17,18,19,21).
What are the key properties of 2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide?
2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide has a molecular weight of 304.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 881699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).