2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide

C22H14F4N2O2 — CID 27131160

IUPAC2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
SMILESO=C(Nc1ccccc1F)C(=Cc1c(F)cccc1F)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H14F4N2O2/c23-15-8-5-9-16(24)13(15)12-14(21(29)27-19-10-3-1-6-17(19)25)22(30)28-20-11-4-2-7-18(20)26/h1-12H,(H,27,29)(H,28,30)
InChIKeyIOWUXYIBXJLSJA-UHFFFAOYSA-N
MW414.36 g/mol
LogP4.90
Rot. Bonds5

About 2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide

2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide (PubChem CID 27131160) has the molecular formula C22H14F4N2O2 and a molecular weight of 414.36 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
PubChem CID27131160
Molecular FormulaC22H14F4N2O2
Molecular Weight414.36 g/mol
Exact Mass414.10
IUPAC Name2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
SMILESO=C(Nc1ccccc1F)C(=Cc1c(F)cccc1F)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H14F4N2O2/c23-15-8-5-9-16(24)13(15)12-14(21(29)27-19-10-3-1-6-17(19)25)22(30)28-20-11-4-2-7-18(20)26/h1-12H,(H,27,29)(H,28,30)
InChIKeyIOWUXYIBXJLSJA-UHFFFAOYSA-N
XLogP4.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide
CID 4810053
2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 2374084
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
2-bromo-N-(2-fluorophenyl)but-2-enamide
CID 54001834
2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide
CID 4065787
N,N'-bis(2-fluorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
CID 55353614
1-ethenyl-3-(2-fluorophenyl)urea
CID 108909167
(Z)-4-(2-fluoroanilino)-3-methyl-4-oxobut-2-enoic acid
CID 7344015
2-[(1-benzylpyrazol-4-yl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 34426738
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide
CID 108520680
N-(3-acetamidophenyl)-N'-(2-fluorophenyl)oxamide
CID 108520808

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide?
The IUPAC name of 2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide (CID 27131160) is 2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide is O=C(Nc1ccccc1F)C(=Cc1c(F)cccc1F)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide?
The InChIKey is IOWUXYIBXJLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N2O2/c23-15-8-5-9-16(24)13(15)12-14(21(29)27-19-10-3-1-6-17(19)25)22(30)28-20-11-4-2-7-18(20)26/h1-12H,(H,27,29)(H,28,30).
What are the key properties of 2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide?
2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide has a molecular weight of 414.36 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide is sourced from PubChem (CID 27131160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).