1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea

C18H19F3N2O2 — CID 60588996

IUPAC1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea
SMILESCCOc1ccc(NC(=O)NCCc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-2-25-14-8-9-16(15(12-14)18(19,20)21)23-17(24)22-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H2,22,23,24)
InChIKeyZUKSWUWRCDJXBO-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.47
Rot. Bonds6

About 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea

1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea (PubChem CID 60588996) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea
PubChem CID60588996
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea
SMILESCCOc1ccc(NC(=O)NCCc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-2-25-14-8-9-16(15(12-14)18(19,20)21)23-17(24)22-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H2,22,23,24)
InChIKeyZUKSWUWRCDJXBO-UHFFFAOYSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60588883
1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea
CID 47420595
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86847008
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 60589064
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901052
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 60588964
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 47223994
2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 60589161
1-(2,4-difluorophenyl)-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 141080201
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]-N-(2-phenylethyl)benzamide
CID 1182090

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea (CID 60588996) is 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea is CCOc1ccc(NC(=O)NCCc2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea?
The InChIKey is ZUKSWUWRCDJXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-2-25-14-8-9-16(15(12-14)18(19,20)21)23-17(24)22-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H2,22,23,24).
What are the key properties of 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea?
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea has a molecular weight of 352.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 60588996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).