1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea

C13H17FN2O2 — CID 47377578

IUPAC1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1CCc2cc(F)ccc21
InChIInChI=1S/C13H17FN2O2/c1-18-7-6-15-13(17)16-12-5-2-9-8-10(14)3-4-11(9)12/h3-4,8,12H,2,5-7H2,1H3,(H2,15,16,17)
InChIKeyVJTIJWABJWZOHP-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.76
Rot. Bonds4

About 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea (PubChem CID 47377578) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea
PubChem CID47377578
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1CCc2cc(F)ccc21
InChIInChI=1S/C13H17FN2O2/c1-18-7-6-15-13(17)16-12-5-2-9-8-10(14)3-4-11(9)12/h3-4,8,12H,2,5-7H2,1H3,(H2,15,16,17)
InChIKeyVJTIJWABJWZOHP-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea (CID 47377578) is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea is COCCNC(=O)NC1CCc2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea?
The InChIKey is VJTIJWABJWZOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-7-6-15-13(17)16-12-5-2-9-8-10(14)3-4-11(9)12/h3-4,8,12H,2,5-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea?
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea has a molecular weight of 252.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47377578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).