1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C19H21FN2O3 — CID 166243977

IUPAC1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC(O)(CNC(=O)NC1CCc2ccc(O)cc21)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(25,13-4-6-14(20)7-5-13)11-21-18(24)22-17-9-3-12-2-8-15(23)10-16(12)17/h2,4-8,10,17,23,25H,3,9,11H2,1H3,(H2,21,22,24)
InChIKeySTCOKHNWOASOFD-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.73
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 166243977) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID166243977
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC(O)(CNC(=O)NC1CCc2ccc(O)cc21)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-19(25,13-4-6-14(20)7-5-13)11-21-18(24)22-17-9-3-12-2-8-15(23)10-16(12)17/h2,4-8,10,17,23,25H,3,9,11H2,1H3,(H2,21,22,24)
InChIKeySTCOKHNWOASOFD-UHFFFAOYSA-N
XLogP2.73
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 166243977) is 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is CC(O)(CNC(=O)NC1CCc2ccc(O)cc21)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is STCOKHNWOASOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-19(25,13-4-6-14(20)7-5-13)11-21-18(24)22-17-9-3-12-2-8-15(23)10-16(12)17/h2,4-8,10,17,23,25H,3,9,11H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 344.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(6-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 166243977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).