1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea

C23H27FN2O2 — CID 71886550

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea
SMILESCN(C(=O)NCC1(c2ccc(F)cc2)CCOCC1)C1CCc2ccccc21
InChIInChI=1S/C23H27FN2O2/c1-26(21-11-6-17-4-2-3-5-20(17)21)22(27)25-16-23(12-14-28-15-13-23)18-7-9-19(24)10-8-18/h2-5,7-10,21H,6,11-16H2,1H3,(H,25,27)
InChIKeyUHZROZVAVBZITL-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.20
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea

1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea (PubChem CID 71886550) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea
PubChem CID71886550
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea
SMILESCN(C(=O)NCC1(c2ccc(F)cc2)CCOCC1)C1CCc2ccccc21
InChIInChI=1S/C23H27FN2O2/c1-26(21-11-6-17-4-2-3-5-20(17)21)22(27)25-16-23(12-14-28-15-13-23)18-7-9-19(24)10-8-18/h2-5,7-10,21H,6,11-16H2,1H3,(H,25,27)
InChIKeyUHZROZVAVBZITL-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea with MolForge

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Related Compounds

N-(9H-fluoren-9-yl)morpholine-4-carboxamide
CID 806424
1-[(4-Fluorophenyl)methyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38279896
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
US20240262804, Example 149
CID 172430297
1-[(2-Fluorophenyl)methyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38279923
1-[2-(4-Fluorophenyl)ethyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38279939
1-[(4-Phenyloxan-4-yl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 38286451
1-[2-(2-Fluorophenyl)ethyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287842
3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide
CID 47758359
1-cyclohexyl-3-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)urea
CID 49753411
1-benzyl-3-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)urea
CID 49753412
1-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)-3-phenethylurea
CID 49753419

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea (CID 71886550) is 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea is CN(C(=O)NCC1(c2ccc(F)cc2)CCOCC1)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea?
The InChIKey is UHZROZVAVBZITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-26(21-11-6-17-4-2-3-5-20(17)21)22(27)25-16-23(12-14-28-15-13-23)18-7-9-19(24)10-8-18/h2-5,7-10,21H,6,11-16H2,1H3,(H,25,27).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea?
1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea has a molecular weight of 382.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea is sourced from PubChem (CID 71886550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).