1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea

C10H13FN2O3 — CID 75415528

IUPAC1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
SMILESCCOc1cc(F)ccc1NC(=O)NOC
InChIInChI=1S/C10H13FN2O3/c1-3-16-9-6-7(11)4-5-8(9)12-10(14)13-15-2/h4-6H,3H2,1-2H3,(H2,12,13,14)
InChIKeyUEJJNUWFBQUKCV-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea

1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea (PubChem CID 75415528) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
PubChem CID75415528
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
SMILESCCOc1cc(F)ccc1NC(=O)NOC
InChIInChI=1S/C10H13FN2O3/c1-3-16-9-6-7(11)4-5-8(9)12-10(14)13-15-2/h4-6H,3H2,1-2H3,(H2,12,13,14)
InChIKeyUEJJNUWFBQUKCV-UHFFFAOYSA-N
XLogP1.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea
CID 48788201
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
CID 119286704
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea
CID 134177615
1-(2-ethoxy-4-fluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754658
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
N-(2-ethoxy-4-fluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61294013

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea (CID 75415528) is 1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea is CCOc1cc(F)ccc1NC(=O)NOC.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea?
The InChIKey is UEJJNUWFBQUKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-3-16-9-6-7(11)4-5-8(9)12-10(14)13-15-2/h4-6H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea?
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea has a molecular weight of 228.22 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea is sourced from PubChem (CID 75415528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).