1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea

C20H23FN2O2 — CID 111454816

IUPAC1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(NC(CCCO)c1ccccc1)NC1CCc2cc(F)ccc21
InChIInChI=1S/C20H23FN2O2/c21-16-9-10-17-15(13-16)8-11-19(17)23-20(25)22-18(7-4-12-24)14-5-2-1-3-6-14/h1-3,5-6,9-10,13,18-19,24H,4,7-8,11-12H2,(H2,22,23,25)
InChIKeyCFHKDGKCMLUSDG-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.63
Rot. Bonds6

About 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111454816) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111454816
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(NC(CCCO)c1ccccc1)NC1CCc2cc(F)ccc21
InChIInChI=1S/C20H23FN2O2/c21-16-9-10-17-15(13-16)8-11-19(17)23-20(25)22-18(7-4-12-24)14-5-2-1-3-6-14/h1-3,5-6,9-10,13,18-19,24H,4,7-8,11-12H2,(H2,22,23,25)
InChIKeyCFHKDGKCMLUSDG-UHFFFAOYSA-N
XLogP3.63
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098
1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450259
5-fluoro-N-(1-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115623709
4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003330
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
(2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
CID 95582106
1-[bis(4-fluorophenyl)methyl]-3-[(1S)-2,3-dihydro-1H-inden-1-yl]urea
CID 97314053
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506065
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 111974189
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111455346
1-[2,6-di(propan-2-yl)phenyl]-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 97018870

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea (CID 111454816) is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea is O=C(NC(CCCO)c1ccccc1)NC1CCc2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is CFHKDGKCMLUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-16-9-10-17-15(13-16)8-11-19(17)23-20(25)22-18(7-4-12-24)14-5-2-1-3-6-14/h1-3,5-6,9-10,13,18-19,24H,4,7-8,11-12H2,(H2,22,23,25).
What are the key properties of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 342.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111454816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).