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

C16H23FN2O3 — CID 111861110

IUPAC1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NC1c2cccc(F)c2CCC1C
InChIInChI=1S/C16H23FN2O3/c1-10-6-7-12-13(4-3-5-14(12)17)15(10)19-16(21)18-8-11(20)9-22-2/h3-5,10-11,15,20H,6-9H2,1-2H3,(H2,18,19,21)
InChIKeySDDDMVMOTSWZQD-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.76
Rot. Bonds5

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

1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea (PubChem CID 111861110) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
PubChem CID111861110
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
SMILESCOCC(O)CNC(=O)NC1c2cccc(F)c2CCC1C
InChIInChI=1S/C16H23FN2O3/c1-10-6-7-12-13(4-3-5-14(12)17)15(10)19-16(21)18-8-11(20)9-22-2/h3-5,10-11,15,20H,6-9H2,1-2H3,(H2,18,19,21)
InChIKeySDDDMVMOTSWZQD-UHFFFAOYSA-N
XLogP1.76
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea
CID 111861118
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea
CID 111861119
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024180
4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoylamino]butanoic acid
CID 122005494
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 110911373
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
CID 81338280
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 71923815
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
CID 96967900
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668
1-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[(3R)-3-hydroxythiolan-3-yl]methyl]urea
CID 97092663
1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 124729881
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
CID 71917527

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea?
The IUPAC name of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea (CID 111861110) is 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea?
The canonical SMILES for 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea is COCC(O)CNC(=O)NC1c2cccc(F)c2CCC1C.
What is the InChIKey of 1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea?
The InChIKey is SDDDMVMOTSWZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-10-6-7-12-13(4-3-5-14(12)17)15(10)19-16(21)18-8-11(20)9-22-2/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-(2-hydroxy-3-methoxypropyl)urea?
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea has a molecular weight of 310.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 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-(2-hydroxy-3-methoxypropyl)urea is sourced from PubChem (CID 111861110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).