1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea

C12H15FN2O2 — CID 59823913

IUPAC1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea
SMILESO=C(NCCF)NC1Cc2cccc(O)c2C1
InChIInChI=1S/C12H15FN2O2/c13-4-5-14-12(17)15-9-6-8-2-1-3-11(16)10(8)7-9/h1-3,9,16H,4-7H2,(H2,14,15,17)
InChIKeyHJSVZOMVYXLDJT-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.13
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea

1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea (PubChem CID 59823913) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea
PubChem CID59823913
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea
SMILESO=C(NCCF)NC1Cc2cccc(O)c2C1
InChIInChI=1S/C12H15FN2O2/c13-4-5-14-12(17)15-9-6-8-2-1-3-11(16)10(8)7-9/h1-3,9,16H,4-7H2,(H2,14,15,17)
InChIKeyHJSVZOMVYXLDJT-UHFFFAOYSA-N
XLogP1.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea (CID 59823913) is 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea is O=C(NCCF)NC1Cc2cccc(O)c2C1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea?
The InChIKey is HJSVZOMVYXLDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-4-5-14-12(17)15-9-6-8-2-1-3-11(16)10(8)7-9/h1-3,9,16H,4-7H2,(H2,14,15,17).
What are the key properties of 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea?
1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea has a molecular weight of 238.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)urea is sourced from PubChem (CID 59823913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).