1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea

C18H25FN2O2 — CID 71868483

IUPAC1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea
SMILESO=C(NCC1(CCO)CCCC1)NC1CCc2c(F)cccc21
InChIInChI=1S/C18H25FN2O2/c19-15-5-3-4-14-13(15)6-7-16(14)21-17(23)20-12-18(10-11-22)8-1-2-9-18/h3-5,16,22H,1-2,6-12H2,(H2,20,21,23)
InChIKeyJIVLMKAAMNPCPW-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea

1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea (PubChem CID 71868483) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea
PubChem CID71868483
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea
SMILESO=C(NCC1(CCO)CCCC1)NC1CCc2c(F)cccc21
InChIInChI=1S/C18H25FN2O2/c19-15-5-3-4-14-13(15)6-7-16(14)21-17(23)20-12-18(10-11-22)8-1-2-9-18/h3-5,16,22H,1-2,6-12H2,(H2,20,21,23)
InChIKeyJIVLMKAAMNPCPW-UHFFFAOYSA-N
XLogP3.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.06
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-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864356
3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75518095
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(hydroxymethyl)cyclopentyl]thiourea
CID 59202326
3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-sulfanylurea
CID 87494138
1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47070348
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,4,4-trifluoro-3-hydroxybutyl)urea
CID 56793707
1-cyclopentyl-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 60266580
1-(3-ethoxypropyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 60267315
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxycyclohexyl)urea
CID 60573056
1-(3-ethoxypropyl)-3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 60577813
1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylurea
CID 71886550
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 72001208

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea?
The IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea (CID 71868483) is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea?
The canonical SMILES for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea is O=C(NCC1(CCO)CCCC1)NC1CCc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea?
The InChIKey is JIVLMKAAMNPCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-15-5-3-4-14-13(15)6-7-16(14)21-17(23)20-12-18(10-11-22)8-1-2-9-18/h3-5,16,22H,1-2,6-12H2,(H2,20,21,23).
What are the key properties of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea?
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea has a molecular weight of 320.41 g/mol, XLogP of 3.06, 5 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-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea is sourced from PubChem (CID 71868483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).