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

C13H8BrF3N2O — CID 46860014

IUPAC1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)ccc1F)Nc1ccc(F)cc1Br
InChIInChI=1S/C13H8BrF3N2O/c14-9-5-7(15)2-4-11(9)18-13(20)19-12-6-8(16)1-3-10(12)17/h1-6H,(H2,18,19,20)
InChIKeyKWZGUWMLCSRNFN-UHFFFAOYSA-N
MW345.12 g/mol
LogP4.51
Rot. Bonds2

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

1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea (PubChem CID 46860014) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
PubChem CID46860014
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)ccc1F)Nc1ccc(F)cc1Br
InChIInChI=1S/C13H8BrF3N2O/c14-9-5-7(15)2-4-11(9)18-13(20)19-12-6-8(16)1-3-10(12)17/h1-6H,(H2,18,19,20)
InChIKeyKWZGUWMLCSRNFN-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

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Related Compounds

2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
(2-bromo-4-fluorophenyl)urea
CID 28939155
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859753
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
(2S)-2-[(2-bromo-4-fluorophenyl)carbamoylamino]propanoic acid
CID 78967831
N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide
CID 43146418
N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
CID 28938688
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
CID 108910441
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea (CID 46860014) is 1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea is O=C(Nc1cc(F)ccc1F)Nc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea?
The InChIKey is KWZGUWMLCSRNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-9-5-7(15)2-4-11(9)18-13(20)19-12-6-8(16)1-3-10(12)17/h1-6H,(H2,18,19,20).
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea?
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)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-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea is sourced from PubChem (CID 46860014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).