1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C17H23FN2O2 — CID 111505240

IUPAC1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C17H23FN2O2/c1-17(10-21)9-3-6-15(17)20-16(22)19-14-8-7-11-12(14)4-2-5-13(11)18/h2,4-5,14-15,21H,3,6-10H2,1H3,(H2,19,20,22)
InChIKeyOPIVOGJULBGTKW-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111505240) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111505240
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C17H23FN2O2/c1-17(10-21)9-3-6-15(17)20-16(22)19-14-8-7-11-12(14)4-2-5-13(11)18/h2,4-5,14-15,21H,3,6-10H2,1H3,(H2,19,20,22)
InChIKeyOPIVOGJULBGTKW-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea with MolForge

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111503818
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111474343
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(hydroxymethyl)cyclopentyl]thiourea
CID 59202326
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299
1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 86838353
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-[1-(hydroxymethyl)cyclopentyl]but-3-ene-2-thione
CID 143612842

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111505240) is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CC1(CO)CCCC1NC(=O)NC1CCc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is OPIVOGJULBGTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-17(10-21)9-3-6-15(17)20-16(22)19-14-8-7-11-12(14)4-2-5-13(11)18/h2,4-5,14-15,21H,3,6-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 306.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111505240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).