1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea

C15H13BrF2N2O2 — CID 112971370

IUPAC1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea
SMILESO=C(NCCOc1ccc(Br)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H13BrF2N2O2/c16-10-1-4-12(5-2-10)22-8-7-19-15(21)20-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H2,19,20,21)
InChIKeyGESCUTGUDMUBDZ-UHFFFAOYSA-N
MW371.18 g/mol
LogP3.93
Rot. Bonds5

About 1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea

1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea (PubChem CID 112971370) has the molecular formula C15H13BrF2N2O2 and a molecular weight of 371.18 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea
PubChem CID112971370
Molecular FormulaC15H13BrF2N2O2
Molecular Weight371.18 g/mol
Exact Mass370.01
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea
SMILESO=C(NCCOc1ccc(Br)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H13BrF2N2O2/c16-10-1-4-12(5-2-10)22-8-7-19-15(21)20-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H2,19,20,21)
InChIKeyGESCUTGUDMUBDZ-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 53.93
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

4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea
CID 112972799
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(4-bromo-2-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970416
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511
1-(2,4-difluorophenyl)-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 141080201
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112976455
1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972120
1-(4-bromo-2-methylphenyl)-3-(3-phenoxypropyl)urea
CID 108883260

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea (CID 112971370) is 1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea is O=C(NCCOc1ccc(Br)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is GESCUTGUDMUBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O2/c16-10-1-4-12(5-2-10)22-8-7-19-15(21)20-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H2,19,20,21).
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea?
1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 371.18 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 112971370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).