1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea

C12H15F3N2O3 — CID 47223994

IUPAC1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
SMILESCOCCNC(=O)Nc1ccc(OC)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c1-19-6-5-16-11(18)17-10-4-3-8(20-2)7-9(10)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H2,16,17,18)
InChIKeyZIDAXXWMZHGAHE-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea

1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea (PubChem CID 47223994) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
PubChem CID47223994
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
SMILESCOCCNC(=O)Nc1ccc(OC)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c1-19-6-5-16-11(18)17-10-4-3-8(20-2)7-9(10)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H2,16,17,18)
InChIKeyZIDAXXWMZHGAHE-UHFFFAOYSA-N
XLogP2.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.48
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

2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 51082774
1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 83036718
3-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 63679600
4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide
CID 79200697
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901052
(E)-4-[4-methoxy-2-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 60940535
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide
CID 51082771
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea
CID 60588996
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea
CID 118069861

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea (CID 47223994) is 1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea is COCCNC(=O)Nc1ccc(OC)cc1C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea?
The InChIKey is ZIDAXXWMZHGAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-19-6-5-16-11(18)17-10-4-3-8(20-2)7-9(10)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea?
1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea has a molecular weight of 292.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 47223994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).