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

C14H19FN2O2 — CID 42954721

IUPAC1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCc1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C14H19FN2O2/c1-10(13-3-2-8-19-13)17-14(18)16-9-11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H2,16,17,18)
InChIKeyWLAXMCGYKWFCTD-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.19
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 42954721) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID42954721
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCc1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C14H19FN2O2/c1-10(13-3-2-8-19-13)17-14(18)16-9-11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H2,16,17,18)
InChIKeyWLAXMCGYKWFCTD-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 42954721) is 1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NCc1ccc(F)cc1)C1CCCO1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is WLAXMCGYKWFCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(13-3-2-8-19-13)17-14(18)16-9-11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 266.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 42954721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).