1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea

C16H16ClFN2OS — CID 60588730

IUPAC1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCSc1ccc(Cl)cc1NC(=O)NCCc1ccccc1F
InChIInChI=1S/C16H16ClFN2OS/c1-22-15-7-6-12(17)10-14(15)20-16(21)19-9-8-11-4-2-3-5-13(11)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyVEDYZCDIKQDLPL-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.57
Rot. Bonds5

About 1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea

1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 60588730) has the molecular formula C16H16ClFN2OS and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID60588730
Molecular FormulaC16H16ClFN2OS
Molecular Weight338.84 g/mol
Exact Mass338.07
IUPAC Name1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCSc1ccc(Cl)cc1NC(=O)NCCc1ccccc1F
InChIInChI=1S/C16H16ClFN2OS/c1-22-15-7-6-12(17)10-14(15)20-16(21)19-9-8-11-4-2-3-5-13(11)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyVEDYZCDIKQDLPL-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948290
1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900021
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131
1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
CID 4584887
1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900168
1-(5-chloro-2-methylsulfanylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 60588866
N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024857
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108900009
1-(5-chloro-2-methylsulfanylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474307
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea (CID 60588730) is 1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea is CSc1ccc(Cl)cc1NC(=O)NCCc1ccccc1F.
What is the InChIKey of 1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is VEDYZCDIKQDLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2OS/c1-22-15-7-6-12(17)10-14(15)20-16(21)19-9-8-11-4-2-3-5-13(11)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 338.84 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 60588730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).