1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea

C11H15FN2O3 — CID 99821869

IUPAC1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NOCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O3/c1-16-7-6-13-11(15)14-17-8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14,15)
InChIKeyLDKQZHRCFBLXNZ-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.20
Rot. Bonds6

About 1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea

1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea (PubChem CID 99821869) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea
PubChem CID99821869
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NOCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O3/c1-16-7-6-13-11(15)14-17-8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14,15)
InChIKeyLDKQZHRCFBLXNZ-UHFFFAOYSA-N
XLogP1.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea (CID 99821869) is 1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea is COCCNC(=O)NOCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea?
The InChIKey is LDKQZHRCFBLXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-16-7-6-13-11(15)14-17-8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea?
1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea has a molecular weight of 242.25 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxy]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 99821869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).