1-propyl-3-[4-(trifluoromethyl)phenyl]urea

C11H13F3N2O — CID 6468135

IUPAC1-propyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESCCCNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-2-7-15-10(17)16-9-5-3-8(4-6-9)11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16,17)
InChIKeyUDHFCFSYQUQJLF-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.24
Rot. Bonds3

About 1-propyl-3-[4-(trifluoromethyl)phenyl]urea

1-propyl-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 6468135) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-propyl-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-propyl-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID6468135
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-propyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESCCCNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-2-7-15-10(17)16-9-5-3-8(4-6-9)11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16,17)
InChIKeyUDHFCFSYQUQJLF-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-propyl-3-[4-(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-propyl-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-propyl-3-[4-(trifluoromethyl)phenyl]urea (CID 6468135) is 1-propyl-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-propyl-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-propyl-3-[4-(trifluoromethyl)phenyl]urea is CCCNC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-propyl-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is UDHFCFSYQUQJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-2-7-15-10(17)16-9-5-3-8(4-6-9)11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16,17).
What are the key properties of 1-propyl-3-[4-(trifluoromethyl)phenyl]urea?
1-propyl-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 246.23 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 6468135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).