1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea

C20H23FN2O3 — CID 97437886

IUPAC1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea
SMILESO=C(NCCC[C@H]1CCOC1)Nc1ccccc1Oc1ccccc1F
InChIInChI=1S/C20H23FN2O3/c21-16-7-1-3-9-18(16)26-19-10-4-2-8-17(19)23-20(24)22-12-5-6-15-11-13-25-14-15/h1-4,7-10,15H,5-6,11-14H2,(H2,22,23,24)/t15-/m0/s1
InChIKeyPFOOMCCROMFSGN-HNNXBMFYSA-N
MW358.41 g/mol
LogP4.56
Rot. Bonds7

About 1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea

1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea (PubChem CID 97437886) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea
PubChem CID97437886
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea
SMILESO=C(NCCC[C@H]1CCOC1)Nc1ccccc1Oc1ccccc1F
InChIInChI=1S/C20H23FN2O3/c21-16-7-1-3-9-18(16)26-19-10-4-2-8-17(19)23-20(24)22-12-5-6-15-11-13-25-14-15/h1-4,7-10,15H,5-6,11-14H2,(H2,22,23,24)/t15-/m0/s1
InChIKeyPFOOMCCROMFSGN-HNNXBMFYSA-N
XLogP4.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3R)-oxolan-3-yl]propyl]urea
CID 97437885
1-[3-(oxolan-3-yl)propyl]-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]urea
CID 118762287
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
CID 125159828
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 125179663
1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 125173472
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
2-methoxy-5-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]benzamide
CID 126435497
1-(3-chloro-2-fluorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118771660
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide
CID 56782987

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea?
The IUPAC name of 1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea (CID 97437886) is 1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea is O=C(NCCC[C@H]1CCOC1)Nc1ccccc1Oc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea?
The InChIKey is PFOOMCCROMFSGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-16-7-1-3-9-18(16)26-19-10-4-2-8-17(19)23-20(24)22-12-5-6-15-11-13-25-14-15/h1-4,7-10,15H,5-6,11-14H2,(H2,22,23,24)/t15-/m0/s1.
What are the key properties of 1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea?
1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea has a molecular weight of 358.41 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea is sourced from PubChem (CID 97437886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).