1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea

C18H19FN2O — CID 60577386

IUPAC1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCc3cc(F)ccc32)cc1
InChIInChI=1S/C18H19FN2O/c1-12-2-4-13(5-3-12)11-20-18(22)21-17-9-6-14-10-15(19)7-8-16(14)17/h2-5,7-8,10,17H,6,9,11H2,1H3,(H2,20,21,22)
InChIKeyGZLKPYDIVJIQAO-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.62
Rot. Bonds3

About 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 60577386) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea
PubChem CID60577386
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCc3cc(F)ccc32)cc1
InChIInChI=1S/C18H19FN2O/c1-12-2-4-13(5-3-12)11-20-18(22)21-17-9-6-14-10-15(19)7-8-16(14)17/h2-5,7-8,10,17H,6,9,11H2,1H3,(H2,20,21,22)
InChIKeyGZLKPYDIVJIQAO-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea (CID 60577386) is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NC2CCc3cc(F)ccc32)cc1.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is GZLKPYDIVJIQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-12-2-4-13(5-3-12)11-20-18(22)21-17-9-6-14-10-15(19)7-8-16(14)17/h2-5,7-8,10,17H,6,9,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea?
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 298.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 60577386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).