3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea

C19H27FN2O2 — CID 71921363

IUPAC3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NC(c1ccccc1F)C1CCCC1
InChIInChI=1S/C19H27FN2O2/c1-22(12-14-10-11-24-13-14)19(23)21-18(15-6-2-3-7-15)16-8-4-5-9-17(16)20/h4-5,8-9,14-15,18H,2-3,6-7,10-13H2,1H3,(H,21,23)
InChIKeyRNLJUVSJYYDGLJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.73
Rot. Bonds5

About 3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea

3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 71921363) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
PubChem CID71921363
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NC(c1ccccc1F)C1CCCC1
InChIInChI=1S/C19H27FN2O2/c1-22(12-14-10-11-24-13-14)19(23)21-18(15-6-2-3-7-15)16-8-4-5-9-17(16)20/h4-5,8-9,14-15,18H,2-3,6-7,10-13H2,1H3,(H,21,23)
InChIKeyRNLJUVSJYYDGLJ-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea (CID 71921363) is 3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea is CN(CC1CCOC1)C(=O)NC(c1ccccc1F)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is RNLJUVSJYYDGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-22(12-14-10-11-24-13-14)19(23)21-18(15-6-2-3-7-15)16-8-4-5-9-17(16)20/h4-5,8-9,14-15,18H,2-3,6-7,10-13H2,1H3,(H,21,23).
What are the key properties of 3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 334.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 71921363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).