3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea

C9H10BrFN2O — CID 110460006

IUPAC3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O/c1-13(2)9(14)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKeyXLECNRUPOKPKAT-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.68
Rot. Bonds1

About 3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea

3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea (PubChem CID 110460006) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
PubChem CID110460006
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O/c1-13(2)9(14)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKeyXLECNRUPOKPKAT-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62639550
N-(4-bromo-2-fluorophenyl)-2-oxopropanamide
CID 144805374
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
3-(4-bromo-2-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903881
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
3-(2-bromo-5-fluorophenyl)-1,1-dimethylurea
CID 103755890
3-[(4-bromo-2-fluorophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62851757
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea (CID 110460006) is 3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea?
The InChIKey is XLECNRUPOKPKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-13(2)9(14)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H,12,14).
What are the key properties of 3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea?
3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea has a molecular weight of 261.09 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea is sourced from PubChem (CID 110460006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).