N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide

C15H19F2NO2 — CID 102684332

IUPACN-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)N(CCO)C1CCC1
InChIInChI=1S/C15H19F2NO2/c16-13-6-4-11(10-14(13)17)5-7-15(20)18(8-9-19)12-2-1-3-12/h4,6,10,12,19H,1-3,5,7-9H2
InChIKeyDOPQEVUFNSWUTA-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.27
Rot. Bonds6

About N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide

N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 102684332) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide
PubChem CID102684332
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)N(CCO)C1CCC1
InChIInChI=1S/C15H19F2NO2/c16-13-6-4-11(10-14(13)17)5-7-15(20)18(8-9-19)12-2-1-3-12/h4,6,10,12,19H,1-3,5,7-9H2
InChIKeyDOPQEVUFNSWUTA-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-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide (CID 102684332) is N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide is O=C(CCc1ccc(F)c(F)c1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is DOPQEVUFNSWUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-13-6-4-11(10-14(13)17)5-7-15(20)18(8-9-19)12-2-1-3-12/h4,6,10,12,19H,1-3,5,7-9H2.
What are the key properties of N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide 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-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 102684332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).