1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea

C12H17FN2O3 — CID 47248250

IUPAC1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
SMILESCCOCCNC(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C12H17FN2O3/c1-3-18-7-6-14-12(16)15-10-5-4-9(13)8-11(10)17-2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15,16)
InChIKeyDWOHHWWELUADDA-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.99
Rot. Bonds6

About 1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea

1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea (PubChem CID 47248250) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
PubChem CID47248250
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
SMILESCCOCCNC(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C12H17FN2O3/c1-3-18-7-6-14-12(16)15-10-5-4-9(13)8-11(10)17-2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15,16)
InChIKeyDWOHHWWELUADDA-UHFFFAOYSA-N
XLogP1.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate
CID 78890634
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
4-(2-ethoxyethylcarbamoylamino)-3-fluorobenzoic acid
CID 63190066
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572987
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-(2,2-diethyl-4-hydroxybutyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 111521074
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 86988561
1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120547

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea?
The IUPAC name of 1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea (CID 47248250) is 1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea is CCOCCNC(=O)Nc1ccc(F)cc1OC.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea?
The InChIKey is DWOHHWWELUADDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-3-18-7-6-14-12(16)15-10-5-4-9(13)8-11(10)17-2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea?
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea has a molecular weight of 256.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea is sourced from PubChem (CID 47248250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).