1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea

C14H12BrFN2O — CID 46859946

IUPAC1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C14H12BrFN2O/c1-9-5-6-13(12(16)7-9)18-14(19)17-11-4-2-3-10(15)8-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyRDAXDWGNGWQKAA-UHFFFAOYSA-N
MW323.17 g/mol
LogP4.54
Rot. Bonds2

About 1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea

1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea (PubChem CID 46859946) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
PubChem CID46859946
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C14H12BrFN2O/c1-9-5-6-13(12(16)7-9)18-14(19)17-11-4-2-3-10(15)8-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyRDAXDWGNGWQKAA-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-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 43469069
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515470
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
CID 61345864
1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea
CID 156854728

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea (CID 46859946) is 1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cccc(Br)c2)c(F)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea?
The InChIKey is RDAXDWGNGWQKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-9-5-6-13(12(16)7-9)18-14(19)17-11-4-2-3-10(15)8-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea?
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)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-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 46859946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).