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

C11H13F3N2O2 — CID 38212879

IUPAC1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCONC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c1-18-16-10(17)15-7-6-8-2-4-9(5-3-8)11(12,13)14/h2-5H,6-7H2,1H3,(H2,15,16,17)
InChIKeyBBOLSWHUXAYPJU-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.11
Rot. Bonds4

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

1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 38212879) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID38212879
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCONC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c1-18-16-10(17)15-7-6-8-2-4-9(5-3-8)11(12,13)14/h2-5H,6-7H2,1H3,(H2,15,16,17)
InChIKeyBBOLSWHUXAYPJU-UHFFFAOYSA-N
XLogP2.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 110890023
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxyurea
CID 166182708
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
2-(2-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732878
1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38234794
1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55739146

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 38212879) is 1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is CONC(=O)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is BBOLSWHUXAYPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-18-16-10(17)15-7-6-8-2-4-9(5-3-8)11(12,13)14/h2-5H,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 262.23 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 38212879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).