1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea

C18H25FN2O3 — CID 71990214

IUPAC1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea
SMILESO=C(NCCCOC1CCOCC1)NC1CCc2ccc(F)cc21
InChIInChI=1S/C18H25FN2O3/c19-14-4-2-13-3-5-17(16(13)12-14)21-18(22)20-8-1-9-24-15-6-10-23-11-7-15/h2,4,12,15,17H,1,3,5-11H2,(H2,20,21,22)
InChIKeyHBGMZKHXNMAQMQ-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.70
Rot. Bonds6

About 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea

1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea (PubChem CID 71990214) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea
PubChem CID71990214
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea
SMILESO=C(NCCCOC1CCOCC1)NC1CCc2ccc(F)cc21
InChIInChI=1S/C18H25FN2O3/c19-14-4-2-13-3-5-17(16(13)12-14)21-18(22)20-8-1-9-24-15-6-10-23-11-7-15/h2,4,12,15,17H,1,3,5-11H2,(H2,20,21,22)
InChIKeyHBGMZKHXNMAQMQ-UHFFFAOYSA-N
XLogP2.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.70
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-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71860616
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(oxolan-3-yloxy)piperidine-1-carboxamide
CID 71863469
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864356
3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75518095
1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea
CID 95208028
N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)-N'-{1-[2-(trifluoromethyl)phenyl]ethyl}urea
CID 121508358
1-(2-cyclopentyloxyethyl)-3-[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 128187600
1-[[(2R,3R)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-3-[(1R,2S)-2-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 164630480
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051105
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 25051106
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051266

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea (CID 71990214) is 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea is O=C(NCCCOC1CCOCC1)NC1CCc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea?
The InChIKey is HBGMZKHXNMAQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-14-4-2-13-3-5-17(16(13)12-14)21-18(22)20-8-1-9-24-15-6-10-23-11-7-15/h2,4,12,15,17H,1,3,5-11H2,(H2,20,21,22).
What are the key properties of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea?
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea has a molecular weight of 336.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea is sourced from PubChem (CID 71990214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).