1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea

C16H24FN3O2 — CID 16842400

IUPAC1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
SMILESCC(C)C(CNC(=O)Nc1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C16H24FN3O2/c1-12(2)15(20-6-8-22-9-7-20)11-18-16(21)19-14-5-3-4-13(17)10-14/h3-5,10,12,15H,6-9,11H2,1-2H3,(H2,18,19,21)
InChIKeyIATKVEXLXKCNSG-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.30
Rot. Bonds5

About 1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea

1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea (PubChem CID 16842400) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
PubChem CID16842400
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
SMILESCC(C)C(CNC(=O)Nc1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C16H24FN3O2/c1-12(2)15(20-6-8-22-9-7-20)11-18-16(21)19-14-5-3-4-13(17)10-14/h3-5,10,12,15H,6-9,11H2,1-2H3,(H2,18,19,21)
InChIKeyIATKVEXLXKCNSG-UHFFFAOYSA-N
XLogP2.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea (CID 16842400) is 1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea is CC(C)C(CNC(=O)Nc1cccc(F)c1)N1CCOCC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
The InChIKey is IATKVEXLXKCNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-12(2)15(20-6-8-22-9-7-20)11-18-16(21)19-14-5-3-4-13(17)10-14/h3-5,10,12,15H,6-9,11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea?
1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea has a molecular weight of 309.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea is sourced from PubChem (CID 16842400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).