1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

C18H17F3N2O — CID 121264659

IUPAC1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(N/C=C/c1ccccc1)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)16-8-4-7-15(13-16)10-12-23-17(24)22-11-9-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H2,22,23,24)/b11-9+
InChIKeyOSLIWULKPSAFFR-PKNBQFBNSA-N
MW334.34 g/mol
LogP4.22
Rot. Bonds5

About 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 121264659) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID121264659
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(N/C=C/c1ccccc1)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)16-8-4-7-15(13-16)10-12-23-17(24)22-11-9-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H2,22,23,24)/b11-9+
InChIKeyOSLIWULKPSAFFR-PKNBQFBNSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 121264659) is 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea is O=C(N/C=C/c1ccccc1)NCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is OSLIWULKPSAFFR-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)16-8-4-7-15(13-16)10-12-23-17(24)22-11-9-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H2,22,23,24)/b11-9+.
What are the key properties of 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 334.34 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 121264659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).