1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea

C15H21FN2O2 — CID 111455346

IUPAC1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NC1CCc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O2/c1-2-12(7-8-19)17-15(20)18-14-6-4-10-3-5-11(16)9-13(10)14/h3,5,9,12,14,19H,2,4,6-8H2,1H3,(H2,17,18,20)
InChIKeyXFFYAPUUSCIXGT-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.27
Rot. Bonds5

About 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea

1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111455346) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
PubChem CID111455346
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NC1CCc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O2/c1-2-12(7-8-19)17-15(20)18-14-6-4-10-3-5-11(16)9-13(10)14/h3,5,9,12,14,19H,2,4,6-8H2,1H3,(H2,17,18,20)
InChIKeyXFFYAPUUSCIXGT-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506065
(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922385
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111454160
1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 111106634
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
(3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide
CID 97321215
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480854
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438730
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 95905085
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111454816
3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
CID 99856542

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea (CID 111455346) is 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)NC1CCc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is XFFYAPUUSCIXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-12(7-8-19)17-15(20)18-14-6-4-10-3-5-11(16)9-13(10)14/h3,5,9,12,14,19H,2,4,6-8H2,1H3,(H2,17,18,20).
What are the key properties of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea?
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 280.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111455346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).