1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea

C16H15FN2O — CID 24818652

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H15FN2O/c17-13-5-8-14(9-6-13)18-16(20)19-15-7-4-11-2-1-3-12(11)10-15/h4-10H,1-3H2,(H2,18,19,20)
InChIKeyPKALTRHMOXCGJP-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.96
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea

1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea (PubChem CID 24818652) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea
PubChem CID24818652
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H15FN2O/c17-13-5-8-14(9-6-13)18-16(20)19-15-7-4-11-2-1-3-12(11)10-15/h4-10H,1-3H2,(H2,18,19,20)
InChIKeyPKALTRHMOXCGJP-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea (CID 24818652) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea?
The InChIKey is PKALTRHMOXCGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-13-5-8-14(9-6-13)18-16(20)19-15-7-4-11-2-1-3-12(11)10-15/h4-10H,1-3H2,(H2,18,19,20).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea has a molecular weight of 270.31 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 24818652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).