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

C15H15FN2OS — CID 47192931

IUPAC1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2OS/c1-20-14-7-3-6-13(9-14)18-15(19)17-10-11-4-2-5-12(16)8-11/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyXUGFNWJXHHPQDJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.87
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 47192931) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
PubChem CID47192931
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2OS/c1-20-14-7-3-6-13(9-14)18-15(19)17-10-11-4-2-5-12(16)8-11/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyXUGFNWJXHHPQDJ-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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Related Compounds

1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087557
1-[(4-methylsulfanylphenyl)methyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 3451199
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
CID 142259796
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
CID 108865379
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 3837878
1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031902
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
CID 108898481
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea (CID 47192931) is 1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is XUGFNWJXHHPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-20-14-7-3-6-13(9-14)18-15(19)17-10-11-4-2-5-12(16)8-11/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
1-[(3-fluorophenyl)methyl]-3-(3-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-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 47192931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).