1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea

C13H16ClFN2O — CID 25051590

IUPAC1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESCc1c(Cl)ccc2c1C(NC(=O)NCCF)CC2
InChIInChI=1S/C13H16ClFN2O/c1-8-10(14)4-2-9-3-5-11(12(8)9)17-13(18)16-7-6-15/h2,4,11H,3,5-7H2,1H3,(H2,16,17,18)
InChIKeyLQRQMYMCYYAYER-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.90
Rot. Bonds3

About 1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea

1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (PubChem CID 25051590) has the molecular formula C13H16ClFN2O and a molecular weight of 270.74 g/mol. Its IUPAC name is 1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
PubChem CID25051590
Molecular FormulaC13H16ClFN2O
Molecular Weight270.74 g/mol
Exact Mass270.09
IUPAC Name1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESCc1c(Cl)ccc2c1C(NC(=O)NCCF)CC2
InChIInChI=1S/C13H16ClFN2O/c1-8-10(14)4-2-9-3-5-11(12(8)9)17-13(18)16-7-6-15/h2,4,11H,3,5-7H2,1H3,(H2,16,17,18)
InChIKeyLQRQMYMCYYAYER-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (CID 25051590) is 1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is Cc1c(Cl)ccc2c1C(NC(=O)NCCF)CC2.
What is the InChIKey of 1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The InChIKey is LQRQMYMCYYAYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-8-10(14)4-2-9-3-5-11(12(8)9)17-13(18)16-7-6-15/h2,4,11H,3,5-7H2,1H3,(H2,16,17,18).
What are the key properties of 1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea has a molecular weight of 270.74 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25051590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).