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

C15H21FN2O2 — CID 60577813

IUPAC1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea
SMILESCCOCCCNC(=O)NC1CCc2cc(F)ccc21
InChIInChI=1S/C15H21FN2O2/c1-2-20-9-3-8-17-15(19)18-14-7-4-11-10-12(16)5-6-13(11)14/h5-6,10,14H,2-4,7-9H2,1H3,(H2,17,18,19)
InChIKeyWNXNEDVQKDTZGB-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.54
Rot. Bonds6

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

1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 60577813) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID60577813
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea
SMILESCCOCCCNC(=O)NC1CCc2cc(F)ccc21
InChIInChI=1S/C15H21FN2O2/c1-2-20-9-3-8-17-15(19)18-14-7-4-11-10-12(16)5-6-13(11)14/h5-6,10,14H,2-4,7-9H2,1H3,(H2,17,18,19)
InChIKeyWNXNEDVQKDTZGB-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.54
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-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea (CID 60577813) is 1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea is CCOCCCNC(=O)NC1CCc2cc(F)ccc21.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is WNXNEDVQKDTZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-20-9-3-8-17-15(19)18-14-7-4-11-10-12(16)5-6-13(11)14/h5-6,10,14H,2-4,7-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 280.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 60577813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).