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

C17H19FN2O2 — CID 112970481

IUPAC1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
SMILESCCc1ccc(NC(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-13-3-7-15(8-4-13)20-17(21)19-11-12-22-16-9-5-14(18)6-10-16/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyBXMKVOXOLKZMKA-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.59
Rot. Bonds6

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

1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea (PubChem CID 112970481) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
PubChem CID112970481
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
SMILESCCc1ccc(NC(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-13-3-7-15(8-4-13)20-17(21)19-11-12-22-16-9-5-14(18)6-10-16/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyBXMKVOXOLKZMKA-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.59
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-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972120
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972144
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112976719
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea (CID 112970481) is 1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea is CCc1ccc(NC(=O)NCCOc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea?
The InChIKey is BXMKVOXOLKZMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-13-3-7-15(8-4-13)20-17(21)19-11-12-22-16-9-5-14(18)6-10-16/h3-10H,2,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea?
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea has a molecular weight of 302.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 112970481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).