N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide

C15H19F2NO2 — CID 102866065

IUPACN-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(Cc1ccc(F)cc1F)N(CCCO)C1CCC1
InChIInChI=1S/C15H19F2NO2/c16-12-6-5-11(14(17)10-12)9-15(20)18(7-2-8-19)13-3-1-4-13/h5-6,10,13,19H,1-4,7-9H2
InChIKeyUKOPLIUHFFKDLB-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.27
Rot. Bonds6

About N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide

N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide (PubChem CID 102866065) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide
PubChem CID102866065
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(Cc1ccc(F)cc1F)N(CCCO)C1CCC1
InChIInChI=1S/C15H19F2NO2/c16-12-6-5-11(14(17)10-12)9-15(20)18(7-2-8-19)13-3-1-4-13/h5-6,10,13,19H,1-4,7-9H2
InChIKeyUKOPLIUHFFKDLB-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide (CID 102866065) is N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide is O=C(Cc1ccc(F)cc1F)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is UKOPLIUHFFKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-12-6-5-11(14(17)10-12)9-15(20)18(7-2-8-19)13-3-1-4-13/h5-6,10,13,19H,1-4,7-9H2.
What are the key properties of N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide?
N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 283.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 102866065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).