(2-bromo-4-fluorophenyl)urea

C7H6BrFN2O — CID 28939155

IUPAC(2-bromo-4-fluorophenyl)urea
SMILESNC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C7H6BrFN2O/c8-5-3-4(9)1-2-6(5)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyPKBPCEYFPXAMNE-UHFFFAOYSA-N
MW233.04 g/mol
LogP2.08
Rot. Bonds1

About (2-bromo-4-fluorophenyl)urea

(2-bromo-4-fluorophenyl)urea (PubChem CID 28939155) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)urea.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)urea
PubChem CID28939155
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name(2-bromo-4-fluorophenyl)urea
SMILESNC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C7H6BrFN2O/c8-5-3-4(9)1-2-6(5)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyPKBPCEYFPXAMNE-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)urea
CID 99639427
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
(2-bromo-4-chlorophenyl)urea
CID 81003362
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
N-(2-bromo-4-fluorophenyl)-3-oxobutanamide
CID 28939516
N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide
CID 43316429
2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide
CID 81317663
N-(2-bromo-4-fluorophenyl)-2,2-diphenylacetamide
CID 52653705
N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide
CID 43134331
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318
N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
CID 28938688

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)urea?
The IUPAC name of (2-bromo-4-fluorophenyl)urea (CID 28939155) is (2-bromo-4-fluorophenyl)urea.
What is the SMILES notation for (2-bromo-4-fluorophenyl)urea?
The canonical SMILES for (2-bromo-4-fluorophenyl)urea is NC(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)urea?
The InChIKey is PKBPCEYFPXAMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c8-5-3-4(9)1-2-6(5)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (2-bromo-4-fluorophenyl)urea?
(2-bromo-4-fluorophenyl)urea has a molecular weight of 233.04 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)urea is sourced from PubChem (CID 28939155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).