1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea

C16H15F3N2O3 — CID 108877405

IUPAC1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea
SMILESCCOc1ccccc1OCNC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H15F3N2O3/c1-2-23-12-5-3-4-6-13(12)24-9-20-16(22)21-11-8-7-10(17)14(18)15(11)19/h3-8H,2,9H2,1H3,(H2,20,21,22)
InChIKeyKIIXJIBXHDTKNJ-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.66
Rot. Bonds6

About 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea

1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108877405) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea
PubChem CID108877405
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea
SMILESCCOc1ccccc1OCNC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H15F3N2O3/c1-2-23-12-5-3-4-6-13(12)24-9-20-16(22)21-11-8-7-10(17)14(18)15(11)19/h3-8H,2,9H2,1H3,(H2,20,21,22)
InChIKeyKIIXJIBXHDTKNJ-UHFFFAOYSA-N
XLogP3.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)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-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112971807
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716
methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate
CID 108877191
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112975591
1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893476
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197791
2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27786720
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
1-(4-tert-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877331

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea (CID 108877405) is 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea is CCOc1ccccc1OCNC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is KIIXJIBXHDTKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-2-23-12-5-3-4-6-13(12)24-9-20-16(22)21-11-8-7-10(17)14(18)15(11)19/h3-8H,2,9H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea?
1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 340.30 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108877405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).