2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide

C16H19F2N3O3 — CID 155879463

IUPAC2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide
SMILESCOCCNC(=O)C12CC1CCN2C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H19F2N3O3/c1-24-7-5-19-14(22)16-9-10(16)4-6-21(16)15(23)20-11-2-3-12(17)13(18)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyFBEMRGBLVUQPLE-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.72
Rot. Bonds5

About 2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide

2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide (PubChem CID 155879463) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide
PubChem CID155879463
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide
SMILESCOCCNC(=O)C12CC1CCN2C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H19F2N3O3/c1-24-7-5-19-14(22)16-9-10(16)4-6-21(16)15(23)20-11-2-3-12(17)13(18)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyFBEMRGBLVUQPLE-UHFFFAOYSA-N
XLogP1.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(4aS,7aS)-N-(3,4-difluorophenyl)-4-(3-methoxypropyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide
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(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide (CID 155879463) is 2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide is COCCNC(=O)C12CC1CCN2C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide?
The InChIKey is FBEMRGBLVUQPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-24-7-5-19-14(22)16-9-10(16)4-6-21(16)15(23)20-11-2-3-12(17)13(18)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide?
2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide has a molecular weight of 339.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide is sourced from PubChem (CID 155879463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).