1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea

C15H21FN2O2 — CID 111861119

IUPAC1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea
SMILESCC1CCc2c(F)cccc2C1NC(=O)NCCCO
InChIInChI=1S/C15H21FN2O2/c1-10-6-7-11-12(4-2-5-13(11)16)14(10)18-15(20)17-8-3-9-19/h2,4-5,10,14,19H,3,6-9H2,1H3,(H2,17,18,20)
InChIKeyAQSDXANMXPDINW-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.13
Rot. Bonds4

About 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea

1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea (PubChem CID 111861119) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea
PubChem CID111861119
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea
SMILESCC1CCc2c(F)cccc2C1NC(=O)NCCCO
InChIInChI=1S/C15H21FN2O2/c1-10-6-7-11-12(4-2-5-13(11)16)14(10)18-15(20)17-8-3-9-19/h2,4-5,10,14,19H,3,6-9H2,1H3,(H2,17,18,20)
InChIKeyAQSDXANMXPDINW-UHFFFAOYSA-N
XLogP2.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea (CID 111861119) is 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea is CC1CCc2c(F)cccc2C1NC(=O)NCCCO.
What is the InChIKey of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea?
The InChIKey is AQSDXANMXPDINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-6-7-11-12(4-2-5-13(11)16)14(10)18-15(20)17-8-3-9-19/h2,4-5,10,14,19H,3,6-9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea?
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea has a molecular weight of 280.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 111861119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).