1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea

C15H14Cl2N2OS — CID 4584887

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2OS/c1-21-14-5-3-2-4-13(14)19-15(20)18-9-10-6-7-11(16)8-12(10)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyVAJSIOVKAAXPHR-UHFFFAOYSA-N
MW341.26 g/mol
LogP5.04
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea

1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea (PubChem CID 4584887) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
PubChem CID4584887
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2OS/c1-21-14-5-3-2-4-13(14)19-15(20)18-9-10-6-7-11(16)8-12(10)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyVAJSIOVKAAXPHR-UHFFFAOYSA-N
XLogP5.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.26
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 100606765
N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
CID 43229972
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
CID 110890570
1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 60588730
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863056
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9254131
1-(5-chloro-2-methylsulfanylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 60588866
1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
CID 110890577

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea (CID 4584887) is 1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea is CSc1ccccc1NC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea?
The InChIKey is VAJSIOVKAAXPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-21-14-5-3-2-4-13(14)19-15(20)18-9-10-6-7-11(16)8-12(10)17/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea?
1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea has a molecular weight of 341.26 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 4584887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).