1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea

C17H19FN2O2 — CID 112971923

IUPAC1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea
SMILESCCc1cccc(OCCNC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H19FN2O2/c1-2-13-6-5-7-14(12-13)22-11-10-19-17(21)20-16-9-4-3-8-15(16)18/h3-9,12H,2,10-11H2,1H3,(H2,19,20,21)
InChIKeyGRWWBFKSRWMATE-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.59
Rot. Bonds6

About 1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea

1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea (PubChem CID 112971923) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea
PubChem CID112971923
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea
SMILESCCc1cccc(OCCNC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H19FN2O2/c1-2-13-6-5-7-14(12-13)22-11-10-19-17(21)20-16-9-4-3-8-15(16)18/h3-9,12H,2,10-11H2,1H3,(H2,19,20,21)
InChIKeyGRWWBFKSRWMATE-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

1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971994
1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112971837
1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971952
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
1-(3-cyanophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971990
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea
CID 112972799
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
CID 112971905
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
CID 86987075
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea (CID 112971923) is 1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea is CCc1cccc(OCCNC(=O)Nc2ccccc2F)c1.
What is the InChIKey of 1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea?
The InChIKey is GRWWBFKSRWMATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-13-6-5-7-14(12-13)22-11-10-19-17(21)20-16-9-4-3-8-15(16)18/h3-9,12H,2,10-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea?
1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)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-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 112971923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).