N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide

C15H13FN2O2S — CID 881638

IUPACN-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1
InChIInChI=1S/C15H13FN2O2S/c1-20-11-8-6-10(7-9-11)14(19)18-15(21)17-13-5-3-2-4-12(13)16/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyGVXFPOQHKQCMNO-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.96
Rot. Bonds3

About N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide

N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide (PubChem CID 881638) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide
PubChem CID881638
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1
InChIInChI=1S/C15H13FN2O2S/c1-20-11-8-6-10(7-9-11)14(19)18-15(21)17-13-5-3-2-4-12(13)16/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyGVXFPOQHKQCMNO-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 N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide?
The IUPAC name of N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide (CID 881638) is N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide?
The InChIKey is GVXFPOQHKQCMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-20-11-8-6-10(7-9-11)14(19)18-15(21)17-13-5-3-2-4-12(13)16/h2-9H,1H3,(H2,17,18,19,21).
What are the key properties of N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide?
N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide 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 N-[(2-fluorophenyl)carbamothioyl]-4-methoxybenzamide is sourced from PubChem (CID 881638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).