1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea

C17H17FN2O3 — CID 112970277

IUPAC1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCOc2ccccc2F)c1
InChIInChI=1S/C17H17FN2O3/c1-12(21)13-5-4-6-14(11-13)20-17(22)19-9-10-23-16-8-3-2-7-15(16)18/h2-8,11H,9-10H2,1H3,(H2,19,20,22)
InChIKeyTZGJZDVEXPEFGT-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.23
Rot. Bonds6

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

1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea (PubChem CID 112970277) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
PubChem CID112970277
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCOc2ccccc2F)c1
InChIInChI=1S/C17H17FN2O3/c1-12(21)13-5-4-6-14(11-13)20-17(22)19-9-10-23-16-8-3-2-7-15(16)18/h2-8,11H,9-10H2,1H3,(H2,19,20,22)
InChIKeyTZGJZDVEXPEFGT-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.23
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-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112970275
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975078
1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101867
1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea
CID 112970293
1-[2-(2-chlorophenoxy)ethyl]-3-(3-fluorophenyl)urea
CID 112970688
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467
methyl 3-[3-(2-methylphenoxy)propylcarbamoylamino]benzoate
CID 108884001
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-(2-bromo-4-methylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970298

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea (CID 112970277) is 1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea is CC(=O)c1cccc(NC(=O)NCCOc2ccccc2F)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea?
The InChIKey is TZGJZDVEXPEFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-12(21)13-5-4-6-14(11-13)20-17(22)19-9-10-23-16-8-3-2-7-15(16)18/h2-8,11H,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea?
1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea has a molecular weight of 316.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 112970277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).