1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

C14H15F3N2O3 — CID 756403

IUPAC1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
SMILESO=C(NC1CCCC1)NC1(C(F)(F)F)Oc2ccccc2O1
InChIInChI=1S/C14H15F3N2O3/c15-13(16,17)14(19-12(20)18-9-5-1-2-6-9)21-10-7-3-4-8-11(10)22-14/h3-4,7-9H,1-2,5-6H2,(H2,18,19,20)
InChIKeyUDEIBSQGKBCALL-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.92
Rot. Bonds2

About 1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea (PubChem CID 756403) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
PubChem CID756403
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
SMILESO=C(NC1CCCC1)NC1(C(F)(F)F)Oc2ccccc2O1
InChIInChI=1S/C14H15F3N2O3/c15-13(16,17)14(19-12(20)18-9-5-1-2-6-9)21-10-7-3-4-8-11(10)22-14/h3-4,7-9H,1-2,5-6H2,(H2,18,19,20)
InChIKeyUDEIBSQGKBCALL-UHFFFAOYSA-N
XLogP2.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]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-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea (CID 756403) is 1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea is O=C(NC1CCCC1)NC1(C(F)(F)F)Oc2ccccc2O1.
What is the InChIKey of 1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
The InChIKey is UDEIBSQGKBCALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-13(16,17)14(19-12(20)18-9-5-1-2-6-9)21-10-7-3-4-8-11(10)22-14/h3-4,7-9H,1-2,5-6H2,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea has a molecular weight of 316.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea is sourced from PubChem (CID 756403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).