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

C10H13FN2O2 — CID 2207559

IUPAC1-(4-fluorophenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2/c1-15-7-6-12-10(14)13-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3,(H2,12,13,14)
InChIKeyUTTJDGRFKHZQRN-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.59
Rot. Bonds4

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

1-(4-fluorophenyl)-3-(2-methoxyethyl)urea (PubChem CID 2207559) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methoxyethyl)urea
PubChem CID2207559
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name1-(4-fluorophenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2/c1-15-7-6-12-10(14)13-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3,(H2,12,13,14)
InChIKeyUTTJDGRFKHZQRN-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxyethyl)urea (CID 2207559) is 1-(4-fluorophenyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methoxyethyl)urea?
The InChIKey is UTTJDGRFKHZQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-15-7-6-12-10(14)13-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3,(H2,12,13,14).
What are the key properties of 1-(4-fluorophenyl)-3-(2-methoxyethyl)urea?
1-(4-fluorophenyl)-3-(2-methoxyethyl)urea has a molecular weight of 212.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 2207559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).