1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea

C15H14BrFN2O — CID 46859753

IUPAC1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(F)cc2Br)cc1C
InChIInChI=1S/C15H14BrFN2O/c1-9-3-5-12(7-10(9)2)18-15(20)19-14-6-4-11(17)8-13(14)16/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyHXVKZEKCTTUZAO-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.85
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea

1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea (PubChem CID 46859753) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea
PubChem CID46859753
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(F)cc2Br)cc1C
InChIInChI=1S/C15H14BrFN2O/c1-9-3-5-12(7-10(9)2)18-15(20)19-14-6-4-11(17)8-13(14)16/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyHXVKZEKCTTUZAO-UHFFFAOYSA-N
XLogP4.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 107640736
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea
CID 61340199
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894103
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
(2-bromo-4-fluorophenyl)urea
CID 28939155

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea (CID 46859753) is 1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(F)cc2Br)cc1C.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea?
The InChIKey is HXVKZEKCTTUZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-3-5-12(7-10(9)2)18-15(20)19-14-6-4-11(17)8-13(14)16/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea?
1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea has a molecular weight of 337.19 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 46859753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).