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

C16H23FN2O2 — CID 111106634

IUPAC1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
SMILESCCC(O)(CC)CNC(=O)NC1CCc2ccc(F)cc21
InChIInChI=1S/C16H23FN2O2/c1-3-16(21,4-2)10-18-15(20)19-14-8-6-11-5-7-12(17)9-13(11)14/h5,7,9,14,21H,3-4,6,8,10H2,1-2H3,(H2,18,19,20)
InChIKeyQDWHNBWRTTWOCM-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.66
Rot. Bonds5

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

1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 111106634) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID111106634
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
SMILESCCC(O)(CC)CNC(=O)NC1CCc2ccc(F)cc21
InChIInChI=1S/C16H23FN2O2/c1-3-16(21,4-2)10-18-15(20)19-14-8-6-11-5-7-12(17)9-13(11)14/h5,7,9,14,21H,3-4,6,8,10H2,1-2H3,(H2,18,19,20)
InChIKeyQDWHNBWRTTWOCM-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.66
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-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438730
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480854
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 166243977
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111455346
(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-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506065
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 171787434
3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
CID 99856542
3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
CID 99856543
1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea
CID 122150033

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea (CID 111106634) is 1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea is CCC(O)(CC)CNC(=O)NC1CCc2ccc(F)cc21.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is QDWHNBWRTTWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-16(21,4-2)10-18-15(20)19-14-8-6-11-5-7-12(17)9-13(11)14/h5,7,9,14,21H,3-4,6,8,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea?
1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 294.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 111106634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).