2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide

C11H7F7N2O4 — CID 4231728

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide
SMILESCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7F7N2O4/c1-24-5-2-3-6(7(4-5)20(22)23)19-8(21)9(12,13)10(14,15)11(16,17)18/h2-4H,1H3,(H,19,21)
InChIKeySHNODLVFILNWJR-UHFFFAOYSA-N
MW364.17 g/mol
LogP3.37
Rot. Bonds5

About 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide (PubChem CID 4231728) has the molecular formula C11H7F7N2O4 and a molecular weight of 364.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide
PubChem CID4231728
Molecular FormulaC11H7F7N2O4
Molecular Weight364.17 g/mol
Exact Mass364.03
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide
SMILESCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7F7N2O4/c1-24-5-2-3-6(7(4-5)20(22)23)19-8(21)9(12,13)10(14,15)11(16,17)18/h2-4H,1H3,(H,19,21)
InChIKeySHNODLVFILNWJR-UHFFFAOYSA-N
XLogP3.37
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide (CID 4231728) is 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide is COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide?
The InChIKey is SHNODLVFILNWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F7N2O4/c1-24-5-2-3-6(7(4-5)20(22)23)19-8(21)9(12,13)10(14,15)11(16,17)18/h2-4H,1H3,(H,19,21).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide has a molecular weight of 364.17 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxy-2-nitrophenyl)butanamide is sourced from PubChem (CID 4231728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).