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

C16H18F2N2O2 — CID 84587197

IUPAC1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NC1CC2CCC1O2)NC1CC1c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O2/c17-8-1-3-10(12(18)5-8)11-7-13(11)19-16(21)20-14-6-9-2-4-15(14)22-9/h1,3,5,9,11,13-15H,2,4,6-7H2,(H2,19,20,21)
InChIKeyQKLWXQBKYJASGH-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.44
Rot. Bonds3

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

1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 84587197) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID84587197
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NC1CC2CCC1O2)NC1CC1c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O2/c17-8-1-3-10(12(18)5-8)11-7-13(11)19-16(21)20-14-6-9-2-4-15(14)22-9/h1,3,5,9,11,13-15H,2,4,6-7H2,(H2,19,20,21)
InChIKeyQKLWXQBKYJASGH-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.44
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-(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-(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
1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea
CID 128682857
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-[(4-fluorophenyl)methyl]-3-[(3R,6S)-3-(2-phenylethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]urea
CID 141629833
(2R,3S)-3-methyl-2-[(4-phenylcyclohexyl)oxymethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 154681342
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 33657167

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 84587197) is 1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NC1CC2CCC1O2)NC1CC1c1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is QKLWXQBKYJASGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c17-8-1-3-10(12(18)5-8)11-7-13(11)19-16(21)20-14-6-9-2-4-15(14)22-9/h1,3,5,9,11,13-15H,2,4,6-7H2,(H2,19,20,21).
What are the key properties of 1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 308.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)cyclopropyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 84587197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).