3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane

C14H20F2N2O2 — CID 145466111

IUPAC3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane
SMILESCC.CCCC(N)C(=O)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2O2.C2H6/c1-2-3-10(15)11(17)12(18)16-7-4-5-8(13)9(14)6-7;1-2/h4-6,10H,2-3,15H2,1H3,(H,16,18);1-2H3
InChIKeyRBAAQZVHDPBFHY-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.63
Rot. Bonds5

About 3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane

3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane (PubChem CID 145466111) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane.

Molecular Properties

Compound Name3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane
PubChem CID145466111
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane
SMILESCC.CCCC(N)C(=O)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2O2.C2H6/c1-2-3-10(15)11(17)12(18)16-7-4-5-8(13)9(14)6-7;1-2/h4-6,10H,2-3,15H2,1H3,(H,16,18);1-2H3
InChIKeyRBAAQZVHDPBFHY-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane?
The IUPAC name of 3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane (CID 145466111) is 3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane.
What is the SMILES notation for 3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane?
The canonical SMILES for 3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane is CC.CCCC(N)C(=O)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane?
The InChIKey is RBAAQZVHDPBFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2.C2H6/c1-2-3-10(15)11(17)12(18)16-7-4-5-8(13)9(14)6-7;1-2/h4-6,10H,2-3,15H2,1H3,(H,16,18);1-2H3.
What are the key properties of 3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane?
3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane has a molecular weight of 286.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane is sourced from PubChem (CID 145466111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).