1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea

C15H15FN2OS — CID 2823074

IUPAC1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NCc1ccccc1F
InChIInChI=1S/C15H15FN2OS/c1-20-14-9-5-4-8-13(14)18-15(19)17-10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyWOBKWYUKKIPUGF-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.87
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea

1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea (PubChem CID 2823074) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
PubChem CID2823074
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NCc1ccccc1F
InChIInChI=1S/C15H15FN2OS/c1-20-14-9-5-4-8-13(14)18-15(19)17-10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyWOBKWYUKKIPUGF-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea (CID 2823074) is 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea is CSc1ccccc1NC(=O)NCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea?
The InChIKey is WOBKWYUKKIPUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-20-14-9-5-4-8-13(14)18-15(19)17-10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea?
1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea has a molecular weight of 290.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 2823074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).