1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea

C14H11BrClFN2O — CID 108991868

IUPAC1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1Br
InChIInChI=1S/C14H11BrClFN2O/c1-8-2-3-9(6-11(8)15)18-14(20)19-10-4-5-13(17)12(16)7-10/h2-7H,1H3,(H2,18,19,20)
InChIKeyHUHPIZNEFBWZQV-UHFFFAOYSA-N
MW357.61 g/mol
LogP5.19
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea

1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea (PubChem CID 108991868) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
PubChem CID108991868
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1Br
InChIInChI=1S/C14H11BrClFN2O/c1-8-2-3-9(6-11(8)15)18-14(20)19-10-4-5-13(17)12(16)7-10/h2-7H,1H3,(H2,18,19,20)
InChIKeyHUHPIZNEFBWZQV-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-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805
1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 65499725
1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea
CID 115663057
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 107640736
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813456
1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea
CID 65431622
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea (CID 108991868) is 1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea is Cc1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea?
The InChIKey is HUHPIZNEFBWZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c1-8-2-3-9(6-11(8)15)18-14(20)19-10-4-5-13(17)12(16)7-10/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea?
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)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-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea is sourced from PubChem (CID 108991868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).