1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea

C16H20F2N2O2 — CID 164632938

IUPAC1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea
SMILESO=C(NCCc1cccc(F)c1F)N[C@H]1CC12CCOCC2
InChIInChI=1S/C16H20F2N2O2/c17-12-3-1-2-11(14(12)18)4-7-19-15(21)20-13-10-16(13)5-8-22-9-6-16/h1-3,13H,4-10H2,(H2,19,20,21)/t13-/m0/s1
InChIKeyCAJUGOGNCSNTMG-ZDUSSCGKSA-N
MW310.34 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea

1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea (PubChem CID 164632938) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea
PubChem CID164632938
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea
SMILESO=C(NCCc1cccc(F)c1F)N[C@H]1CC12CCOCC2
InChIInChI=1S/C16H20F2N2O2/c17-12-3-1-2-11(14(12)18)4-7-19-15(21)20-13-10-16(13)5-8-22-9-6-16/h1-3,13H,4-10H2,(H2,19,20,21)/t13-/m0/s1
InChIKeyCAJUGOGNCSNTMG-ZDUSSCGKSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea with MolForge

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Related Compounds

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CID 108913037
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1-Cycloheptyl-3-{[4-(4-fluorophenyl)oxan-4-yl]methyl}urea
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CID 71971667
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971684
1-[1-(3-Fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 75374826
1-[(4-Fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea
CID 110875703
1-allyl-3-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)urea
CID 45561194
3-[(4-Methyloxan-4-YL)methyl]-1-(2-phenylethyl)urea
CID 71686920
3-Methyl-3-[(oxan-4-YL)methyl]-1-(2-phenylethyl)urea
CID 91914989
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea?
The IUPAC name of 1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea (CID 164632938) is 1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea.
What is the SMILES notation for 1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea?
The canonical SMILES for 1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea is O=C(NCCc1cccc(F)c1F)N[C@H]1CC12CCOCC2.
What is the InChIKey of 1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea?
The InChIKey is CAJUGOGNCSNTMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-12-3-1-2-11(14(12)18)4-7-19-15(21)20-13-10-16(13)5-8-22-9-6-16/h1-3,13H,4-10H2,(H2,19,20,21)/t13-/m0/s1.
What are the key properties of 1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea?
1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea has a molecular weight of 310.34 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-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea is sourced from PubChem (CID 164632938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).