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

C11H13FN2O2 — CID 2282649

IUPAC1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea
SMILESC=COCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O2/c1-2-16-8-7-13-11(15)14-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H2,13,14,15)
InChIKeyWAYVODUMORVWBS-UHFFFAOYSA-N
MW224.24 g/mol
LogP2.11
Rot. Bonds5

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

1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea (PubChem CID 2282649) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea
PubChem CID2282649
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea
SMILESC=COCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O2/c1-2-16-8-7-13-11(15)14-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H2,13,14,15)
InChIKeyWAYVODUMORVWBS-UHFFFAOYSA-N
XLogP2.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-ethenoxy-N-[4-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide
CID 20828098
1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea
CID 21365399
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974631
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 112975532
1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
CID 47033133
1-(4-fluorophenyl)-3-pent-3-ynylurea
CID 115976943
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea (CID 2282649) is 1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea is C=COCCNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea?
The InChIKey is WAYVODUMORVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-2-16-8-7-13-11(15)14-10-5-3-9(12)4-6-10/h2-6H,1,7-8H2,(H2,13,14,15).
What are the key properties of 1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea?
1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea has a molecular weight of 224.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 2282649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).