1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea

C13H8F4N2O — CID 46859669

IUPAC1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H8F4N2O/c14-7-1-2-12(11(17)6-7)19-13(20)18-10-4-8(15)3-9(16)5-10/h1-6H,(H2,18,19,20)
InChIKeyMHBFAZYDILVAKI-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.89
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea

1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea (PubChem CID 46859669) has the molecular formula C13H8F4N2O and a molecular weight of 284.21 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
PubChem CID46859669
Molecular FormulaC13H8F4N2O
Molecular Weight284.21 g/mol
Exact Mass284.06
IUPAC Name1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H8F4N2O/c14-7-1-2-12(11(17)6-7)19-13(20)18-10-4-8(15)3-9(16)5-10/h1-6H,(H2,18,19,20)
InChIKeyMHBFAZYDILVAKI-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
CID 47103689
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
CID 6464794
1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea (CID 46859669) is 1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea is O=C(Nc1cc(F)cc(F)c1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea?
The InChIKey is MHBFAZYDILVAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O/c14-7-1-2-12(11(17)6-7)19-13(20)18-10-4-8(15)3-9(16)5-10/h1-6H,(H2,18,19,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea?
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea has a molecular weight of 284.21 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea is sourced from PubChem (CID 46859669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).