1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea

C17H17F3N2O2 — CID 832771

IUPAC1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(C)Oc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O2/c1-11(2)24-15-8-6-13(7-9-15)21-16(23)22-14-5-3-4-12(10-14)17(18,19)20/h3-11H,1-2H3,(H2,21,22,23)
InChIKeyXTFAMDLBSSNHIU-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.14
Rot. Bonds4

About 1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 832771) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID832771
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(C)Oc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O2/c1-11(2)24-15-8-6-13(7-9-15)21-16(23)22-14-5-3-4-12(10-14)17(18,19)20/h3-11H,1-2H3,(H2,21,22,23)
InChIKeyXTFAMDLBSSNHIU-UHFFFAOYSA-N
XLogP5.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]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-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 832771) is 1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea is CC(C)Oc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is XTFAMDLBSSNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11(2)24-15-8-6-13(7-9-15)21-16(23)22-14-5-3-4-12(10-14)17(18,19)20/h3-11H,1-2H3,(H2,21,22,23).
What are the key properties of 1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 338.33 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 832771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).