1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea

C13H9F3N2O — CID 140970670

IUPAC1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea
SMILESNC(=O)N(c1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H9F3N2O/c14-8-1-3-9(4-2-8)18(13(17)19)10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,19)
InChIKeyOKGVMZDEYKPTLL-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.32
Rot. Bonds2

About 1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea

1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea (PubChem CID 140970670) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea
PubChem CID140970670
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea
SMILESNC(=O)N(c1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H9F3N2O/c14-8-1-3-9(4-2-8)18(13(17)19)10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,19)
InChIKeyOKGVMZDEYKPTLL-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea (CID 140970670) is 1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea is NC(=O)N(c1ccc(F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea?
The InChIKey is OKGVMZDEYKPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-8-1-3-9(4-2-8)18(13(17)19)10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,19).
What are the key properties of 1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea?
1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea has a molecular weight of 266.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-(4-fluorophenyl)urea is sourced from PubChem (CID 140970670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).