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

C13H8BrF3N2O — CID 107612572

IUPAC1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C13H8BrF3N2O/c14-7-5-10(17)12(6-9(7)16)19-13(20)18-11-4-2-1-3-8(11)15/h1-6H,(H2,18,19,20)
InChIKeyRLTCHKXVXXPDRE-UHFFFAOYSA-N
MW345.12 g/mol
LogP4.51
Rot. Bonds2

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

1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea (PubChem CID 107612572) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea
PubChem CID107612572
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Name1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C13H8BrF3N2O/c14-7-5-10(17)12(6-9(7)16)19-13(20)18-11-4-2-1-3-8(11)15/h1-6H,(H2,18,19,20)
InChIKeyRLTCHKXVXXPDRE-UHFFFAOYSA-N
XLogP4.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 103842634
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-(4-bromo-2,5-difluorophenyl)-3-(4-fluorophenyl)urea
CID 107612564
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493
N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide
CID 107614820
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
1-(2,2-dimethylpropanoylamino)-3-(2-fluorophenyl)urea
CID 17269898
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
CID 107611709
1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea
CID 169075145
3-[(4-bromo-2,5-difluorophenyl)carbamoylamino]propanoic acid
CID 107614346

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea (CID 107612572) is 1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea is O=C(Nc1ccccc1F)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea?
The InChIKey is RLTCHKXVXXPDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-7-5-10(17)12(6-9(7)16)19-13(20)18-11-4-2-1-3-8(11)15/h1-6H,(H2,18,19,20).
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea?
1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea has a molecular weight of 345.12 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 107612572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).