1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea

C14H19FN2O2 — CID 17182391

IUPAC1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea
SMILESCC(NC(=O)NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-10(11-4-6-12(15)7-5-11)17-14(18)16-9-13-3-2-8-19-13/h4-7,10,13H,2-3,8-9H2,1H3,(H2,16,17,18)
InChIKeyURVWHESARUWBKB-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.36
Rot. Bonds4

About 1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea

1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 17182391) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID17182391
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea
SMILESCC(NC(=O)NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-10(11-4-6-12(15)7-5-11)17-14(18)16-9-13-3-2-8-19-13/h4-7,10,13H,2-3,8-9H2,1H3,(H2,16,17,18)
InChIKeyURVWHESARUWBKB-UHFFFAOYSA-N
XLogP2.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea (CID 17182391) is 1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea is CC(NC(=O)NCC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is URVWHESARUWBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(11-4-6-12(15)7-5-11)17-14(18)16-9-13-3-2-8-19-13/h4-7,10,13H,2-3,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea?
1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 266.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 17182391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).