1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea

C15H19FN2O2 — CID 91783584

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea
SMILESO=C(NCCc1ccccc1F)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C15H19FN2O2/c16-12-4-2-1-3-10(12)5-7-17-15(19)18-13-9-14-11(13)6-8-20-14/h1-4,11,13-14H,5-9H2,(H2,17,18,19)/t11-,13+,14+/m1/s1
InChIKeyMRIMPNRBFHBXKD-XBFCOCLRSA-N
MW278.33 g/mol
LogP1.84
Rot. Bonds4

About 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea

1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea (PubChem CID 91783584) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea
PubChem CID91783584
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea
SMILESO=C(NCCc1ccccc1F)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C15H19FN2O2/c16-12-4-2-1-3-10(12)5-7-17-15(19)18-13-9-14-11(13)6-8-20-14/h1-4,11,13-14H,5-9H2,(H2,17,18,19)/t11-,13+,14+/m1/s1
InChIKeyMRIMPNRBFHBXKD-XBFCOCLRSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea (CID 91783584) is 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea is O=C(NCCc1ccccc1F)N[C@H]1C[C@@H]2OCC[C@H]12.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea?
The InChIKey is MRIMPNRBFHBXKD-XBFCOCLRSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-12-4-2-1-3-10(12)5-7-17-15(19)18-13-9-14-11(13)6-8-20-14/h1-4,11,13-14H,5-9H2,(H2,17,18,19)/t11-,13+,14+/m1/s1.
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea?
1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea has a molecular weight of 278.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]urea is sourced from PubChem (CID 91783584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).