1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea

C18H19FN2O2 — CID 71170321

IUPAC1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCOC1CCc2cccc(NC(=O)Nc3ccccc3F)c2C1
InChIInChI=1S/C18H19FN2O2/c1-23-13-10-9-12-5-4-8-16(14(12)11-13)20-18(22)21-17-7-3-2-6-15(17)19/h2-8,13H,9-11H2,1H3,(H2,20,21,22)
InChIKeyYXIAAKFNPCQHGS-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.97
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 71170321) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID71170321
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCOC1CCc2cccc(NC(=O)Nc3ccccc3F)c2C1
InChIInChI=1S/C18H19FN2O2/c1-23-13-10-9-12-5-4-8-16(14(12)11-13)20-18(22)21-17-7-3-2-6-15(17)19/h2-8,13H,9-11H2,1H3,(H2,20,21,22)
InChIKeyYXIAAKFNPCQHGS-UHFFFAOYSA-N
XLogP3.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 71170321) is 1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea is COC1CCc2cccc(NC(=O)Nc3ccccc3F)c2C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is YXIAAKFNPCQHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-23-13-10-9-12-5-4-8-16(14(12)11-13)20-18(22)21-17-7-3-2-6-15(17)19/h2-8,13H,9-11H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 314.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(7-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 71170321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).