1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea

C16H22FN3O2 — CID 47070715

IUPAC1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)NC1CCc2cc(F)ccc21
InChIInChI=1S/C16H22FN3O2/c17-13-2-3-14-12(11-13)1-4-15(14)19-16(21)18-5-6-20-7-9-22-10-8-20/h2-3,11,15H,1,4-10H2,(H2,18,19,21)
InChIKeySGPKDTOMEFXQQK-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.44
Rot. Bonds4

About 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 47070715) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID47070715
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)NC1CCc2cc(F)ccc21
InChIInChI=1S/C16H22FN3O2/c17-13-2-3-14-12(11-13)1-4-15(14)19-16(21)18-5-6-20-7-9-22-10-8-20/h2-3,11,15H,1,4-10H2,(H2,18,19,21)
InChIKeySGPKDTOMEFXQQK-UHFFFAOYSA-N
XLogP1.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Irindalone
CID 65845
1-(2-{4-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 10319293
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-(9H-fluoren-9-yl)morpholine-4-carboxamide
CID 806424
1-[2-[4-[(1S,3R)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;hydrate
CID 52949082
N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)morpholine-4-carboxamide
CID 121661890
1-[2-(4-Indan-1-yl-piperazin-1-yl)-ethyl]-imidazolidin-2-one
CID 14208336
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)urea
CID 23723868
N-(2,3-Dihydro-1H-inden-1-yl)-N-methyl-2-(morpholin-4-yl)acetamide
CID 110872
1-Indanamine, N-(2-morpholinoacetyl)-
CID 110876
1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
N-(2,3-Dihydro-1H-inden-1-yl)-4-(morpholin-4-yl)butanimidic acid
CID 110883

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea (CID 47070715) is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)NC1CCc2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is SGPKDTOMEFXQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-13-2-3-14-12(11-13)1-4-15(14)19-16(21)18-5-6-20-7-9-22-10-8-20/h2-3,11,15H,1,4-10H2,(H2,18,19,21).
What are the key properties of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea?
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 307.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 47070715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).