3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea

C21H23FN2O — CID 86952605

IUPAC3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SMILESCN(C(=O)NC1CCc2ccc(F)cc21)C1CCc2ccccc2C1
InChIInChI=1S/C21H23FN2O/c1-24(18-10-7-14-4-2-3-5-16(14)12-18)21(25)23-20-11-8-15-6-9-17(22)13-19(15)20/h2-6,9,13,18,20H,7-8,10-12H2,1H3,(H,23,25)
InChIKeyLNGKRALCRVSLJE-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.01
Rot. Bonds2

About 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea

3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea (PubChem CID 86952605) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
PubChem CID86952605
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SMILESCN(C(=O)NC1CCc2ccc(F)cc21)C1CCc2ccccc2C1
InChIInChI=1S/C21H23FN2O/c1-24(18-10-7-14-4-2-3-5-16(14)12-18)21(25)23-20-11-8-15-6-9-17(22)13-19(15)20/h2-6,9,13,18,20H,7-8,10-12H2,1H3,(H,23,25)
InChIKeyLNGKRALCRVSLJE-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
2-(2,3-dihydro-1H-inden-1-yl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955821
3-(1,1-dioxothiolan-3-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 167969729
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 111538143
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506065
2-hydroxy-N-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 97061002
2-hydroxy-N-methyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 97061003
1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 111106634
4-(2-chlorobenzoyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1,4-diazepane-1-carboxamide
CID 86896143
4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673677
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 56782488

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The IUPAC name of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea (CID 86952605) is 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The canonical SMILES for 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea is CN(C(=O)NC1CCc2ccc(F)cc21)C1CCc2ccccc2C1.
What is the InChIKey of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The InChIKey is LNGKRALCRVSLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-24(18-10-7-14-4-2-3-5-16(14)12-18)21(25)23-20-11-8-15-6-9-17(22)13-19(15)20/h2-6,9,13,18,20H,7-8,10-12H2,1H3,(H,23,25).
What are the key properties of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea has a molecular weight of 338.43 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea is sourced from PubChem (CID 86952605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).