1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea

C15H15FN2O2 — CID 27870148

IUPAC1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c16-12-6-8-13(9-7-12)18-15(19)17-10-11-20-14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,17,18,19)
InChIKeyWELCSPAJXNPFCD-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.03
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea

1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea (PubChem CID 27870148) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
PubChem CID27870148
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c16-12-6-8-13(9-7-12)18-15(19)17-10-11-20-14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,17,18,19)
InChIKeyWELCSPAJXNPFCD-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.03
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

N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea
CID 112970293
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 86870027
1-(4-nitrophenyl)-3-(3-phenoxypropyl)urea
CID 108883092
1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 112975532
1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974631

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea (CID 27870148) is 1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea is O=C(NCCOc1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea?
The InChIKey is WELCSPAJXNPFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-12-6-8-13(9-7-12)18-15(19)17-10-11-20-14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,17,18,19).
What are the key properties of 1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea?
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea has a molecular weight of 274.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 27870148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).