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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Related Compounds

2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
N-(3,4-difluorophenyl)propanamide
CID 4285365
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
CID 143868292
CID 143868292
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide
CID 58331959
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610
(2R)-2-amino-N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904585
N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 44998787

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).