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

C15H14BrFN2O2 — CID 103269220

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(Br)c(F)cc2C)c1
InChIInChI=1S/C15H14BrFN2O2/c1-9-6-13(17)12(16)8-14(9)19-15(20)18-10-4-3-5-11(7-10)21-2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyXRWOLBOWADBUEI-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.55
Rot. Bonds3

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

1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea (PubChem CID 103269220) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea
PubChem CID103269220
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(Br)c(F)cc2C)c1
InChIInChI=1S/C15H14BrFN2O2/c1-9-6-13(17)12(16)8-14(9)19-15(20)18-10-4-3-5-11(7-10)21-2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyXRWOLBOWADBUEI-UHFFFAOYSA-N
XLogP4.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(2-bromo-4-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 81003505
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
N-(5-bromo-4-fluoro-2-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 103278127
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 107698021
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 69014425

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea (CID 103269220) is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cc(Br)c(F)cc2C)c1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is XRWOLBOWADBUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-9-6-13(17)12(16)8-14(9)19-15(20)18-10-4-3-5-11(7-10)21-2/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea?
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea has a molecular weight of 353.19 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 103269220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).