3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea

C17H25FN2O2 — CID 75387834

IUPAC3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea
SMILESCC(C)N(CC(C)(C)O)C(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C17H25FN2O2/c1-11(2)20(10-17(3,4)22)16(21)19-15-9-8-12-13(15)6-5-7-14(12)18/h5-7,11,15,22H,8-10H2,1-4H3,(H,19,21)
InChIKeyFTKJGQCTOKQVNU-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.00
Rot. Bonds4

About 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea

3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea (PubChem CID 75387834) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea
PubChem CID75387834
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea
SMILESCC(C)N(CC(C)(C)O)C(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C17H25FN2O2/c1-11(2)20(10-17(3,4)22)16(21)19-15-9-8-12-13(15)6-5-7-14(12)18/h5-7,11,15,22H,8-10H2,1-4H3,(H,19,21)
InChIKeyFTKJGQCTOKQVNU-UHFFFAOYSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea with MolForge

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Related Compounds

1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044930
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044931
1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
CID 56819402
1-(2-cyanoethyl)-1-cyclohexyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 172435814
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71860616
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864356
3-(1,2,3,3a,4,5-Hexahydroacenaphthylen-1-yl)-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 86790789
1-(2-hydroxy-2-methylpropyl)-1-propan-2-yl-3-[(1S)-1-(3,4,5-trifluorophenyl)ethyl]urea
CID 97326275
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 15353677
N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 15859052
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 15859053
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea?
The IUPAC name of 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea (CID 75387834) is 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea is CC(C)N(CC(C)(C)O)C(=O)NC1CCc2c(F)cccc21.
What is the InChIKey of 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea?
The InChIKey is FTKJGQCTOKQVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-11(2)20(10-17(3,4)22)16(21)19-15-9-8-12-13(15)6-5-7-14(12)18/h5-7,11,15,22H,8-10H2,1-4H3,(H,19,21).
What are the key properties of 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea?
3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea has a molecular weight of 308.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea is sourced from PubChem (CID 75387834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).