3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea

C15H20F2N2O2 — CID 91905702

IUPAC3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCOC1)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-2-4-19(9-11-3-5-21-10-11)15(20)18-14-7-12(16)6-13(17)8-14/h6-8,11H,2-5,9-10H2,1H3,(H,18,20)
InChIKeyNHWMFLGMJKCJFW-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.25
Rot. Bonds5

About 3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea

3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea (PubChem CID 91905702) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
PubChem CID91905702
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCOC1)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-2-4-19(9-11-3-5-21-10-11)15(20)18-14-7-12(16)6-13(17)8-14/h6-8,11H,2-5,9-10H2,1H3,(H,18,20)
InChIKeyNHWMFLGMJKCJFW-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
The IUPAC name of 3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea (CID 91905702) is 3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
The canonical SMILES for 3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea is CCCN(CC1CCOC1)C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
The InChIKey is NHWMFLGMJKCJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-2-4-19(9-11-3-5-21-10-11)15(20)18-14-7-12(16)6-13(17)8-14/h6-8,11H,2-5,9-10H2,1H3,(H,18,20).
What are the key properties of 3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea has a molecular weight of 298.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea is sourced from PubChem (CID 91905702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).