2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide

C24H20F2N2O2 — CID 9446874

IUPAC2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)C(=Cc1ccc(F)c(F)c1)C(=O)Nc1ccccc1C
InChIInChI=1S/C24H20F2N2O2/c1-15-7-3-5-9-21(15)27-23(29)18(13-17-11-12-19(25)20(26)14-17)24(30)28-22-10-6-4-8-16(22)2/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChIKeyWZPOMKCBOSVBSG-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.24
Rot. Bonds5

About 2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide

2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide (PubChem CID 9446874) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide
PubChem CID9446874
Molecular FormulaC24H20F2N2O2
Molecular Weight406.43 g/mol
Exact Mass406.15
IUPAC Name2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)C(=Cc1ccc(F)c(F)c1)C(=O)Nc1ccccc1C
InChIInChI=1S/C24H20F2N2O2/c1-15-7-3-5-9-21(15)27-23(29)18(13-17-11-12-19(25)20(26)14-17)24(30)28-22-10-6-4-8-16(22)2/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChIKeyWZPOMKCBOSVBSG-UHFFFAOYSA-N
XLogP5.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.24
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

2-[[4-(dimethylamino)phenyl]methylidene]-N,N'-bis(2-methylphenyl)propanediamide
CID 8726729
2-benzylidene-N,N'-bis(2,4-dimethylphenyl)propanediamide
CID 7972340
N,N'-bis(2-methylphenyl)-2-[(5-methylthiophen-2-yl)methylidene]propanediamide
CID 9446875
N,N'-bis(2-fluorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
CID 55353614
2-[(4-ethyl-3-nitrophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 166435125
N,N'-bis(2-methylphenyl)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide
CID 55769173
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 8714064
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide
CID 27131162
N-(4-fluorophenyl)-N'-(2-methylphenyl)oxamide
CID 44998554
2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 27131160
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94282932

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide?
The IUPAC name of 2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide (CID 9446874) is 2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)C(=Cc1ccc(F)c(F)c1)C(=O)Nc1ccccc1C.
What is the InChIKey of 2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide?
The InChIKey is WZPOMKCBOSVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c1-15-7-3-5-9-21(15)27-23(29)18(13-17-11-12-19(25)20(26)14-17)24(30)28-22-10-6-4-8-16(22)2/h3-14H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide?
2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide has a molecular weight of 406.43 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methylidene]-N,N'-bis(2-methylphenyl)propanediamide is sourced from PubChem (CID 9446874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).