N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide

C15H20FNO2 — CID 102866218

IUPACN-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N(CCCO)C1CCC1
InChIInChI=1S/C15H20FNO2/c16-13-5-1-4-12(10-13)11-15(19)17(8-3-9-18)14-6-2-7-14/h1,4-5,10,14,18H,2-3,6-9,11H2
InChIKeyWKROGKGLNAYIAU-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.13
Rot. Bonds6

About N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide

N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide (PubChem CID 102866218) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide
PubChem CID102866218
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N(CCCO)C1CCC1
InChIInChI=1S/C15H20FNO2/c16-13-5-1-4-12(10-13)11-15(19)17(8-3-9-18)14-6-2-7-14/h1,4-5,10,14,18H,2-3,6-9,11H2
InChIKeyWKROGKGLNAYIAU-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide (CID 102866218) is N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide is O=C(Cc1cccc(F)c1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is WKROGKGLNAYIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-13-5-1-4-12(10-13)11-15(19)17(8-3-9-18)14-6-2-7-14/h1,4-5,10,14,18H,2-3,6-9,11H2.
What are the key properties of N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide?
N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 265.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 102866218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).