1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C16H21FN2O2 — CID 75380001

IUPAC1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCC(Cc1cccc(F)c1)NC(=O)NC1CC2CCC1O2
InChIInChI=1S/C16H21FN2O2/c1-10(7-11-3-2-4-12(17)8-11)18-16(20)19-14-9-13-5-6-15(14)21-13/h2-4,8,10,13-15H,5-7,9H2,1H3,(H2,18,19,20)
InChIKeyFXKPDGDVEFXLPC-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.38
Rot. Bonds4

About 1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 75380001) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID75380001
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCC(Cc1cccc(F)c1)NC(=O)NC1CC2CCC1O2
InChIInChI=1S/C16H21FN2O2/c1-10(7-11-3-2-4-12(17)8-11)18-16(20)19-14-9-13-5-6-15(14)21-13/h2-4,8,10,13-15H,5-7,9H2,1H3,(H2,18,19,20)
InChIKeyFXKPDGDVEFXLPC-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 75380001) is 1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is CC(Cc1cccc(F)c1)NC(=O)NC1CC2CCC1O2.
What is the InChIKey of 1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is FXKPDGDVEFXLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-10(7-11-3-2-4-12(17)8-11)18-16(20)19-14-9-13-5-6-15(14)21-13/h2-4,8,10,13-15H,5-7,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 292.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)propan-2-yl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 75380001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).