1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea

C17H23FN2O — CID 86838302

IUPAC1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C17H23FN2O/c1-11-5-2-3-8-15(11)19-17(21)20-16-10-9-12-13(16)6-4-7-14(12)18/h4,6-7,11,15-16H,2-3,5,8-10H2,1H3,(H2,19,20,21)
InChIKeyNOOVNNMTXWXLRF-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.69
Rot. Bonds2

About 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea

1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea (PubChem CID 86838302) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
PubChem CID86838302
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C17H23FN2O/c1-11-5-2-3-8-15(11)19-17(21)20-16-10-9-12-13(16)6-4-7-14(12)18/h4,6-7,11,15-16H,2-3,5,8-10H2,1H3,(H2,19,20,21)
InChIKeyNOOVNNMTXWXLRF-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505240
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 167916039
4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 83065400
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 119302147
N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95771818
4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103779434
3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 166285451
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110904109
1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 86838353
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea?
The IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea (CID 86838302) is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea?
The canonical SMILES for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea is CC1CCCCC1NC(=O)NC1CCc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea?
The InChIKey is NOOVNNMTXWXLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-11-5-2-3-8-15(11)19-17(21)20-16-10-9-12-13(16)6-4-7-14(12)18/h4,6-7,11,15-16H,2-3,5,8-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea?
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea has a molecular weight of 290.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea is sourced from PubChem (CID 86838302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).