1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C18H19FN2O2 — CID 110895027

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCCc1ccccc1F)NC1c2ccccc2CC1O
InChIInChI=1S/C18H19FN2O2/c19-15-8-4-2-5-12(15)9-10-20-18(23)21-17-14-7-3-1-6-13(14)11-16(17)22/h1-8,16-17,22H,9-11H2,(H2,20,21,23)
InChIKeyBDTXHMYIPJYKKX-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.33
Rot. Bonds4

About 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 110895027) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID110895027
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCCc1ccccc1F)NC1c2ccccc2CC1O
InChIInChI=1S/C18H19FN2O2/c19-15-8-4-2-5-12(15)9-10-20-18(23)21-17-14-7-3-1-6-13(14)11-16(17)22/h1-8,16-17,22H,9-11H2,(H2,20,21,23)
InChIKeyBDTXHMYIPJYKKX-UHFFFAOYSA-N
XLogP2.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
CID 110895671
N-[2-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoylamino]ethyl]-4-methylbenzamide
CID 136525095
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923399
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111507774
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 51092798
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111104264
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 110895027) is 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is O=C(NCCc1ccccc1F)NC1c2ccccc2CC1O.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is BDTXHMYIPJYKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-15-8-4-2-5-12(15)9-10-20-18(23)21-17-14-7-3-1-6-13(14)11-16(17)22/h1-8,16-17,22H,9-11H2,(H2,20,21,23).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 314.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 110895027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).