1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea

C17H22F2N2O2 — CID 136534436

IUPAC1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea
SMILESCCC(NC(=O)NC1CC2OCCCC12)c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N2O2/c1-2-14(11-6-5-10(18)8-13(11)19)20-17(22)21-15-9-16-12(15)4-3-7-23-16/h5-6,8,12,14-16H,2-4,7,9H2,1H3,(H2,20,21,22)
InChIKeyYFGQIHJRAPUJTC-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.28
Rot. Bonds4

About 1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea

1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea (PubChem CID 136534436) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea
PubChem CID136534436
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea
SMILESCCC(NC(=O)NC1CC2OCCCC12)c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N2O2/c1-2-14(11-6-5-10(18)8-13(11)19)20-17(22)21-15-9-16-12(15)4-3-7-23-16/h5-6,8,12,14-16H,2-4,7,9H2,1H3,(H2,20,21,22)
InChIKeyYFGQIHJRAPUJTC-UHFFFAOYSA-N
XLogP3.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea (CID 136534436) is 1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea is CCC(NC(=O)NC1CC2OCCCC12)c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea?
The InChIKey is YFGQIHJRAPUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-2-14(11-6-5-10(18)8-13(11)19)20-17(22)21-15-9-16-12(15)4-3-7-23-16/h5-6,8,12,14-16H,2-4,7,9H2,1H3,(H2,20,21,22).
What are the key properties of 1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea?
1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea has a molecular weight of 324.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)propyl]-3-(2-oxabicyclo[4.2.0]octan-7-yl)urea is sourced from PubChem (CID 136534436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).