1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C16H20F2N2O2 — CID 75380026

IUPAC1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCC(CNC(=O)NC1CC2CCC1O2)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O2/c1-9(10-2-4-12(17)13(18)6-10)8-19-16(21)20-14-7-11-3-5-15(14)22-11/h2,4,6,9,11,14-15H,3,5,7-8H2,1H3,(H2,19,20,21)
InChIKeyOYWPOUFNVPJIBC-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.69
Rot. Bonds4

About 1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 75380026) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID75380026
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCC(CNC(=O)NC1CC2CCC1O2)c1ccc(F)c(F)c1
InChIInChI=1S/C16H20F2N2O2/c1-9(10-2-4-12(17)13(18)6-10)8-19-16(21)20-14-7-11-3-5-15(14)22-11/h2,4,6,9,11,14-15H,3,5,7-8H2,1H3,(H2,19,20,21)
InChIKeyOYWPOUFNVPJIBC-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-Fluorophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea
CID 72145203
1-[2-(2,4-Difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587197
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]urea
CID 84587217
1-[2-(3,4-Difluorophenyl)propyl]-3-(2-methyloxolan-3-yl)urea
CID 84595336
1-Benzyl-1-(2-hydroxy-2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84598160
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea
CID 86769584
1-(2,3,3a,4,5,6,7,7a-Octahydro-1-benzofuran-4-yl)-3-[2-(3-fluorophenyl)cyclopropyl]urea
CID 86770949
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
CID 119051730
N-[1-(2,3-difluorophenyl)ethyl]-3-(oxolan-2-yl)morpholine-4-carboxamide
CID 128390716
1-[(3R,6S,6aR)-3-(2-phenylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-[(4-fluorophenyl)methyl]urea
CID 126612970
1-[(3R,3aS,6S,6aR)-3-(2-phenylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-[(4-fluorophenyl)methyl]urea
CID 126612972
1-[(3R,6S,6aR)-3-[(Z)-2-phenylethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-[(4-fluorophenyl)methyl]urea
CID 126613209

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 75380026) is 1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is CC(CNC(=O)NC1CC2CCC1O2)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is OYWPOUFNVPJIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-9(10-2-4-12(17)13(18)6-10)8-19-16(21)20-14-7-11-3-5-15(14)22-11/h2,4,6,9,11,14-15H,3,5,7-8H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 310.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)propyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 75380026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).