1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea

C18H21FN2O2 — CID 112970324

IUPAC1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea
SMILESCCN(C(=O)NCCOc1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C18H21FN2O2/c1-3-21(15-8-6-7-14(2)13-15)18(22)20-11-12-23-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyOGSBLBOESAGWEY-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.75
Rot. Bonds6

About 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea

1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea (PubChem CID 112970324) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea
PubChem CID112970324
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea
SMILESCCN(C(=O)NCCOc1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C18H21FN2O2/c1-3-21(15-8-6-7-14(2)13-15)18(22)20-11-12-23-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyOGSBLBOESAGWEY-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)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

3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
CID 112974053
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972497
3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112971088
1-ethyl-1-(3-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899788
1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974629
3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112974161
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 47024393
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992795
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea?
The IUPAC name of 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea (CID 112970324) is 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea.
What is the SMILES notation for 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea?
The canonical SMILES for 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea is CCN(C(=O)NCCOc1ccccc1F)c1cccc(C)c1.
What is the InChIKey of 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea?
The InChIKey is OGSBLBOESAGWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-3-21(15-8-6-7-14(2)13-15)18(22)20-11-12-23-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea?
1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea has a molecular weight of 316.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea is sourced from PubChem (CID 112970324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).