1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea

C13H19FN2O3 — CID 108901254

IUPAC1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
SMILESCOC(CNC(=O)NCCc1cccc(F)c1)OC
InChIInChI=1S/C13H19FN2O3/c1-18-12(19-2)9-16-13(17)15-7-6-10-4-3-5-11(14)8-10/h3-5,8,12H,6-7,9H2,1-2H3,(H2,15,16,17)
InChIKeySELHSUABWUVUKT-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.29
Rot. Bonds7

About 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea

1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea (PubChem CID 108901254) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
PubChem CID108901254
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
SMILESCOC(CNC(=O)NCCc1cccc(F)c1)OC
InChIInChI=1S/C13H19FN2O3/c1-18-12(19-2)9-16-13(17)15-7-6-10-4-3-5-11(14)8-10/h3-5,8,12H,6-7,9H2,1-2H3,(H2,15,16,17)
InChIKeySELHSUABWUVUKT-UHFFFAOYSA-N
XLogP1.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334518

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea (CID 108901254) is 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea is COC(CNC(=O)NCCc1cccc(F)c1)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The InChIKey is SELHSUABWUVUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-18-12(19-2)9-16-13(17)15-7-6-10-4-3-5-11(14)8-10/h3-5,8,12H,6-7,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea?
1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea has a molecular weight of 270.30 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108901254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).