1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea

C14H12BrFN2O — CID 17262139

IUPAC1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
SMILESCc1cc(Br)ccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12BrFN2O/c1-9-8-10(15)2-7-13(9)18-14(19)17-12-5-3-11(16)4-6-12/h2-8H,1H3,(H2,17,18,19)
InChIKeyCHFHXYBYNUNPFH-UHFFFAOYSA-N
MW323.17 g/mol
LogP4.54
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea

1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea (PubChem CID 17262139) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
PubChem CID17262139
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
SMILESCc1cc(Br)ccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12BrFN2O/c1-9-8-10(15)2-7-13(9)18-14(19)17-12-5-3-11(16)4-6-12/h2-8H,1H3,(H2,17,18,19)
InChIKeyCHFHXYBYNUNPFH-UHFFFAOYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991649
1-(4-bromo-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 52565167
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839711
1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214403
1-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
CID 897820
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea (CID 17262139) is 1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea is Cc1cc(Br)ccc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea?
The InChIKey is CHFHXYBYNUNPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-9-8-10(15)2-7-13(9)18-14(19)17-12-5-3-11(16)4-6-12/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea?
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea has a molecular weight of 323.17 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 17262139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).