1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea

C14H11BrClFN2O — CID 169075145

IUPAC1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea
SMILESCc1cc(F)c(NC(=O)Nc2ccccc2Cl)cc1Br
InChIInChI=1S/C14H11BrClFN2O/c1-8-6-11(17)13(7-9(8)15)19-14(20)18-12-5-3-2-4-10(12)16/h2-7H,1H3,(H2,18,19,20)
InChIKeyHKJWYLNXBZAWDI-UHFFFAOYSA-N
MW357.61 g/mol
LogP5.19
Rot. Bonds2

About 1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea

1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea (PubChem CID 169075145) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea
PubChem CID169075145
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea
SMILESCc1cc(F)c(NC(=O)Nc2ccccc2Cl)cc1Br
InChIInChI=1S/C14H11BrClFN2O/c1-8-6-11(17)13(7-9(8)15)19-14(20)18-12-5-3-2-4-10(12)16/h2-7H,1H3,(H2,18,19,20)
InChIKeyHKJWYLNXBZAWDI-UHFFFAOYSA-N
XLogP5.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.61
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)urea
CID 122244056
1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea
CID 43551461
1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea
CID 107612572
1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
CID 43544038
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
CID 71013470
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-(2-chlorophenyl)-3-(4-ethyl-2-methylphenyl)urea
CID 71013489
1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea
CID 61292988
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea (CID 169075145) is 1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea is Cc1cc(F)c(NC(=O)Nc2ccccc2Cl)cc1Br.
What is the InChIKey of 1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea?
The InChIKey is HKJWYLNXBZAWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c1-8-6-11(17)13(7-9(8)15)19-14(20)18-12-5-3-2-4-10(12)16/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea?
1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea has a molecular weight of 357.61 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluoro-4-methylphenyl)-3-(2-chlorophenyl)urea is sourced from PubChem (CID 169075145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).