1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea

C16H16BrFN2O2 — CID 112970298

IUPAC1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
SMILESCc1ccc(NC(=O)NCCOc2ccccc2F)c(Br)c1
InChIInChI=1S/C16H16BrFN2O2/c1-11-6-7-14(12(17)10-11)20-16(21)19-8-9-22-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyCFZXYRQYBWAMJM-UHFFFAOYSA-N
MW367.22 g/mol
LogP4.10
Rot. Bonds5

About 1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea

1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea (PubChem CID 112970298) has the molecular formula C16H16BrFN2O2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
PubChem CID112970298
Molecular FormulaC16H16BrFN2O2
Molecular Weight367.22 g/mol
Exact Mass366.04
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
SMILESCc1ccc(NC(=O)NCCOc2ccccc2F)c(Br)c1
InChIInChI=1S/C16H16BrFN2O2/c1-11-6-7-14(12(17)10-11)20-16(21)19-8-9-22-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyCFZXYRQYBWAMJM-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(2-bromo-4-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892354
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971083
1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
1-(2-bromo-4-methylphenyl)-3-butylurea
CID 28787465
1-(2-bromo-4-methylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 47133437
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621
1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970277

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea (CID 112970298) is 1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea is Cc1ccc(NC(=O)NCCOc2ccccc2F)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea?
The InChIKey is CFZXYRQYBWAMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O2/c1-11-6-7-14(12(17)10-11)20-16(21)19-8-9-22-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea?
1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea has a molecular weight of 367.22 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 112970298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).