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

C16H23FN2O2 — CID 111861118

IUPAC1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1c2cccc(F)c2CCC1C
InChIInChI=1S/C16H23FN2O2/c1-10-6-7-12-13(4-3-5-14(12)17)15(10)19-16(21)18-9-8-11(2)20/h3-5,10-11,15,20H,6-9H2,1-2H3,(H2,18,19,21)
InChIKeyKSUFSIWXVLNRET-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.52
Rot. Bonds4

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

1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea (PubChem CID 111861118) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea
PubChem CID111861118
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1c2cccc(F)c2CCC1C
InChIInChI=1S/C16H23FN2O2/c1-10-6-7-12-13(4-3-5-14(12)17)15(10)19-16(21)18-9-8-11(2)20/h3-5,10-11,15,20H,6-9H2,1-2H3,(H2,18,19,21)
InChIKeyKSUFSIWXVLNRET-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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-hydroxybutyl)urea?
The IUPAC name of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea (CID 111861118) is 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NC1c2cccc(F)c2CCC1C.
What is the InChIKey of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea?
The InChIKey is KSUFSIWXVLNRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10-6-7-12-13(4-3-5-14(12)17)15(10)19-16(21)18-9-8-11(2)20/h3-5,10-11,15,20H,6-9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea?
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea has a molecular weight of 294.37 g/mol, XLogP of 2.52, 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-hydroxybutyl)urea is sourced from PubChem (CID 111861118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).