3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea

C17H19BrN2O2 — CID 112971088

IUPAC3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NCCOc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H19BrN2O2/c1-2-20(14-8-4-3-5-9-14)17(21)19-12-13-22-16-11-7-6-10-15(16)18/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyJIKNDXPXMYQSEC-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.06
Rot. Bonds6

About 3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea

3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea (PubChem CID 112971088) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea
PubChem CID112971088
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NCCOc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H19BrN2O2/c1-2-20(14-8-4-3-5-9-14)17(21)19-12-13-22-16-11-7-6-10-15(16)18/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyJIKNDXPXMYQSEC-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-bromo-4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882037
1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea
CID 112971044
3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112974161
1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974629
1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea
CID 112970324
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882781
3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901655
1-benzyl-3-[3-(4-bromo-2-chlorophenoxy)propyl]-1-phenylurea
CID 108882491
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea?
The IUPAC name of 3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea (CID 112971088) is 3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea?
The canonical SMILES for 3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea is CCN(C(=O)NCCOc1ccccc1Br)c1ccccc1.
What is the InChIKey of 3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea?
The InChIKey is JIKNDXPXMYQSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-2-20(14-8-4-3-5-9-14)17(21)19-12-13-22-16-11-7-6-10-15(16)18/h3-11H,2,12-13H2,1H3,(H,19,21).
What are the key properties of 3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea?
3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea has a molecular weight of 363.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea is sourced from PubChem (CID 112971088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).