3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea

C15H21FN2O2 — CID 91915444

IUPAC3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCOC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-2-8-18(10-12-7-9-20-11-12)15(19)17-14-5-3-13(16)4-6-14/h3-6,12H,2,7-11H2,1H3,(H,17,19)
InChIKeyVMPWUUHBTINEMQ-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.11
Rot. Bonds5

About 3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea

3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea (PubChem CID 91915444) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
PubChem CID91915444
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
SMILESCCCN(CC1CCOC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-2-8-18(10-12-7-9-20-11-12)15(19)17-14-5-3-13(16)4-6-14/h3-6,12H,2,7-11H2,1H3,(H,17,19)
InChIKeyVMPWUUHBTINEMQ-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
The IUPAC name of 3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea (CID 91915444) is 3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
The canonical SMILES for 3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea is CCCN(CC1CCOC1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
The InChIKey is VMPWUUHBTINEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-8-18(10-12-7-9-20-11-12)15(19)17-14-5-3-13(16)4-6-14/h3-6,12H,2,7-11H2,1H3,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea?
3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea has a molecular weight of 280.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(oxolan-3-ylmethyl)-1-propylurea is sourced from PubChem (CID 91915444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).