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

C13H17FN2O2 — CID 25051267

IUPAC1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCOc1cccc2c1CCC2NC(=O)NCCF
InChIInChI=1S/C13H17FN2O2/c1-18-12-4-2-3-9-10(12)5-6-11(9)16-13(17)15-8-7-14/h2-4,11H,5-8H2,1H3,(H2,15,16,17)
InChIKeyRHZIHIJVLAVTQK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.95
Rot. Bonds4

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

1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 25051267) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID25051267
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCOc1cccc2c1CCC2NC(=O)NCCF
InChIInChI=1S/C13H17FN2O2/c1-18-12-4-2-3-9-10(12)5-6-11(9)16-13(17)15-8-7-14/h2-4,11H,5-8H2,1H3,(H2,15,16,17)
InChIKeyRHZIHIJVLAVTQK-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea (CID 25051267) is 1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea is COc1cccc2c1CCC2NC(=O)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is RHZIHIJVLAVTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-12-4-2-3-9-10(12)5-6-11(9)16-13(17)15-8-7-14/h2-4,11H,5-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea?
1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 252.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(4-methoxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 25051267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).