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

C17H21FN2O2 — CID 75380011

IUPAC1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCC1(c2cccc(F)c2)CC1)NC1CC2CCC1O2
InChIInChI=1S/C17H21FN2O2/c18-12-3-1-2-11(8-12)17(6-7-17)10-19-16(21)20-14-9-13-4-5-15(14)22-13/h1-3,8,13-15H,4-7,9-10H2,(H2,19,20,21)
InChIKeyCFOFROBNDRLABS-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.48
Rot. Bonds4

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

1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 75380011) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID75380011
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCC1(c2cccc(F)c2)CC1)NC1CC2CCC1O2
InChIInChI=1S/C17H21FN2O2/c18-12-3-1-2-11(8-12)17(6-7-17)10-19-16(21)20-14-9-13-4-5-15(14)22-13/h1-3,8,13-15H,4-7,9-10H2,(H2,19,20,21)
InChIKeyCFOFROBNDRLABS-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971667
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971684
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-(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)-1-[(2S)-oxolan-2-yl]ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 33657167
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 33657170
1-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 33657173

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 75380011) is 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NCC1(c2cccc(F)c2)CC1)NC1CC2CCC1O2.
What is the InChIKey of 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is CFOFROBNDRLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-12-3-1-2-11(8-12)17(6-7-17)10-19-16(21)20-14-9-13-4-5-15(14)22-13/h1-3,8,13-15H,4-7,9-10H2,(H2,19,20,21).
What are the key properties of 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 304.37 g/mol, XLogP of 2.48, 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)cyclopropyl]methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 75380011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).