3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide

C15H19F2NO2 — CID 111976989

IUPAC3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide
SMILESCC(=CC(=O)N(C)CC(C)(C)O)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c1-10(12-6-5-11(16)8-13(12)17)7-14(19)18(4)9-15(2,3)20/h5-8,20H,9H2,1-4H3
InChIKeyFSWWUKMPOQJQPI-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.60
Rot. Bonds4

About 3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide

3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide (PubChem CID 111976989) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide
PubChem CID111976989
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide
SMILESCC(=CC(=O)N(C)CC(C)(C)O)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c1-10(12-6-5-11(16)8-13(12)17)7-14(19)18(4)9-15(2,3)20/h5-8,20H,9H2,1-4H3
InChIKeyFSWWUKMPOQJQPI-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-(2,4-difluorophenyl)-3-methylidenehex-4-en-2-one
CID 166086953
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79290471
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene
CID 121350292
4-fluoro-2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 102919575
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide (CID 111976989) is 3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide is CC(=CC(=O)N(C)CC(C)(C)O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide?
The InChIKey is FSWWUKMPOQJQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-10(12-6-5-11(16)8-13(12)17)7-14(19)18(4)9-15(2,3)20/h5-8,20H,9H2,1-4H3.
What are the key properties of 3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide?
3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide has a molecular weight of 283.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide is sourced from PubChem (CID 111976989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).