N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide

C28H21F2N3O3 — CID 24628139

IUPACN,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide
SMILESO=C(Nc1ccccc1F)C(=Cc1ccccc1OCc1ccccn1)C(=O)Nc1ccccc1F
InChIInChI=1S/C28H21F2N3O3/c29-22-11-2-4-13-24(22)32-27(34)21(28(35)33-25-14-5-3-12-23(25)30)17-19-9-1-6-15-26(19)36-18-20-10-7-8-16-31-20/h1-17H,18H2,(H,32,34)(H,33,35)
InChIKeyPLXCROPNYYHJIU-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.60
Rot. Bonds8

About N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide

N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide (PubChem CID 24628139) has the molecular formula C28H21F2N3O3 and a molecular weight of 485.49 g/mol. Its IUPAC name is N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide
PubChem CID24628139
Molecular FormulaC28H21F2N3O3
Molecular Weight485.49 g/mol
Exact Mass485.16
IUPAC NameN,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide
SMILESO=C(Nc1ccccc1F)C(=Cc1ccccc1OCc1ccccn1)C(=O)Nc1ccccc1F
InChIInChI=1S/C28H21F2N3O3/c29-22-11-2-4-13-24(22)32-27(34)21(28(35)33-25-14-5-3-12-23(25)30)17-19-9-1-6-15-26(19)36-18-20-10-7-8-16-31-20/h1-17H,18H2,(H,32,34)(H,33,35)
InChIKeyPLXCROPNYYHJIU-UHFFFAOYSA-N
XLogP5.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylphenyl)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide
CID 55769173
(E)-N-(2-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46547414
N,N'-bis(2-fluorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
CID 55353614
N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8930437
2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 27131160
N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide
CID 27131162
[2-(pyridin-2-ylmethoxy)phenyl]thiourea
CID 169357255
N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide
CID 108520680
(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24628108
2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 2374084
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide
CID 2369819

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide?
The IUPAC name of N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide (CID 24628139) is N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide.
What is the SMILES notation for N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide?
The canonical SMILES for N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide is O=C(Nc1ccccc1F)C(=Cc1ccccc1OCc1ccccn1)C(=O)Nc1ccccc1F.
What is the InChIKey of N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide?
The InChIKey is PLXCROPNYYHJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N3O3/c29-22-11-2-4-13-24(22)32-27(34)21(28(35)33-25-14-5-3-12-23(25)30)17-19-9-1-6-15-26(19)36-18-20-10-7-8-16-31-20/h1-17H,18H2,(H,32,34)(H,33,35).
What are the key properties of N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide?
N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide has a molecular weight of 485.49 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide is sourced from PubChem (CID 24628139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).