1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea

C15H14ClFN2O — CID 51046141

IUPAC1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1F
InChIInChI=1S/C15H14ClFN2O/c1-9-3-5-11(7-13(9)16)18-15(20)19-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyIYEJIKJXUMXVAW-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.74
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea

1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea (PubChem CID 51046141) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea
PubChem CID51046141
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1F
InChIInChI=1S/C15H14ClFN2O/c1-9-3-5-11(7-13(9)16)18-15(20)19-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyIYEJIKJXUMXVAW-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea (CID 51046141) is 1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1F.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea?
The InChIKey is IYEJIKJXUMXVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-3-5-11(7-13(9)16)18-15(20)19-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea?
1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea has a molecular weight of 292.74 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(3-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 51046141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).