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

C21H19FN2O3 — CID 112970293

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea
SMILESO=C(NCCOc1ccccc1F)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19FN2O3/c22-19-8-4-5-9-20(19)26-15-14-23-21(25)24-16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-13H,14-15H2,(H2,23,24,25)
InChIKeyHIQXIIWLDWUQJV-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.82
Rot. Bonds7

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

1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea (PubChem CID 112970293) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea
PubChem CID112970293
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea
SMILESO=C(NCCOc1ccccc1F)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19FN2O3/c22-19-8-4-5-9-20(19)26-15-14-23-21(25)24-16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-13H,14-15H2,(H2,23,24,25)
InChIKeyHIQXIIWLDWUQJV-UHFFFAOYSA-N
XLogP4.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101867
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970277
1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112970275
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
CID 112970219
1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 86870027

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea (CID 112970293) is 1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea is O=C(NCCOc1ccccc1F)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea?
The InChIKey is HIQXIIWLDWUQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-19-8-4-5-9-20(19)26-15-14-23-21(25)24-16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-13H,14-15H2,(H2,23,24,25).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea?
1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea has a molecular weight of 366.39 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 112970293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).