2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione

C17H19F2NO4 — CID 150482774

IUPAC2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione
SMILESCCc1cc(N(C2CC2)C2OC(=O)CC(=O)O2)c(CC)c(F)c1F
InChIInChI=1S/C17H19F2NO4/c1-3-9-7-12(11(4-2)16(19)15(9)18)20(10-5-6-10)17-23-13(21)8-14(22)24-17/h7,10,17H,3-6,8H2,1-2H3
InChIKeyHUEDUGJVLCRGQP-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.83
Rot. Bonds5

About 2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione

2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione (PubChem CID 150482774) has the molecular formula C17H19F2NO4 and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione
PubChem CID150482774
Molecular FormulaC17H19F2NO4
Molecular Weight339.34 g/mol
Exact Mass339.13
IUPAC Name2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione
SMILESCCc1cc(N(C2CC2)C2OC(=O)CC(=O)O2)c(CC)c(F)c1F
InChIInChI=1S/C17H19F2NO4/c1-3-9-7-12(11(4-2)16(19)15(9)18)20(10-5-6-10)17-23-13(21)8-14(22)24-17/h7,10,17H,3-6,8H2,1-2H3
InChIKeyHUEDUGJVLCRGQP-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(N-cyclopropyl-5-ethyl-2,3,4-trifluoroanilino)-3-ethylbut-2-enedioic acid
CID 173313423
3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione
CID 166088775
1-ethyl-2,3,5-trifluoro-4-(2-methylpropyl)benzene
CID 139904745
6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 130370166
5-chloro-1-ethyl-2-fluoro-3-methylbenzene
CID 130776841
1,4-bis(2,2-dimethylpropyl)-2,3,5-trifluorobenzene
CID 164762951
1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone
CID 102273469
2-(chloromethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 43313547
5-chloro-6-ethyl-1,3-benzodioxole;ethane
CID 176955593
1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 162052100
N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 120835424
2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine
CID 117356661

Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione?
The IUPAC name of 2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione (CID 150482774) is 2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione?
The canonical SMILES for 2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione is CCc1cc(N(C2CC2)C2OC(=O)CC(=O)O2)c(CC)c(F)c1F.
What is the InChIKey of 2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione?
The InChIKey is HUEDUGJVLCRGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO4/c1-3-9-7-12(11(4-2)16(19)15(9)18)20(10-5-6-10)17-23-13(21)8-14(22)24-17/h7,10,17H,3-6,8H2,1-2H3.
What are the key properties of 2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione?
2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione has a molecular weight of 339.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclopropyl-2,5-diethyl-3,4-difluoroanilino)-1,3-dioxane-4,6-dione is sourced from PubChem (CID 150482774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).