1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea

C11H13F3N2O2 — CID 71250825

IUPAC1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
SMILESCCNC(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-2-15-10(17)16-7-8-4-3-5-9(6-8)18-11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16,17)
InChIKeyXRDDSRSXUYKJMN-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.40
Rot. Bonds4

About 1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea

1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 71250825) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID71250825
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
SMILESCCNC(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-2-15-10(17)16-7-8-4-3-5-9(6-8)18-11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16,17)
InChIKeyXRDDSRSXUYKJMN-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3818160
1-(3-fluorobut-3-enyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150586
1-(3-methyl-1-bicyclo[1.1.1]pentanyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150569
1-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)but-3-enyl]urea
CID 169150598
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
1-(3-chloro-4-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3865446
1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3867265
3-[(ethylcarbamoylamino)methyl]benzoic acid
CID 60895497
1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 138010552
2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide
CID 160603297
2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38260097

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea (CID 71250825) is 1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea is CCNC(=O)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is XRDDSRSXUYKJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-15-10(17)16-7-8-4-3-5-9(6-8)18-11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 262.23 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 71250825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).