2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide

C22H14Cl2F2N2O2 — CID 2374084

IUPAC2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
SMILESO=C(Nc1ccccc1F)C(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H14Cl2F2N2O2/c23-14-10-9-13(16(24)12-14)11-15(21(29)27-19-7-3-1-5-17(19)25)22(30)28-20-8-4-2-6-18(20)26/h1-12H,(H,27,29)(H,28,30)
InChIKeyGVLMCNYTUXAODE-UHFFFAOYSA-N
MW447.27 g/mol
LogP5.93
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide

2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide (PubChem CID 2374084) has the molecular formula C22H14Cl2F2N2O2 and a molecular weight of 447.27 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
PubChem CID2374084
Molecular FormulaC22H14Cl2F2N2O2
Molecular Weight447.27 g/mol
Exact Mass446.04
IUPAC Name2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
SMILESO=C(Nc1ccccc1F)C(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H14Cl2F2N2O2/c23-14-10-9-13(16(24)12-14)11-15(21(29)27-19-7-3-1-5-17(19)25)22(30)28-20-8-4-2-6-18(20)26/h1-12H,(H,27,29)(H,28,30)
InChIKeyGVLMCNYTUXAODE-UHFFFAOYSA-N
XLogP5.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.27
LogP ≤ 55.93
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

3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 27131160
N,N'-bis(2-fluorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
CID 55353614
N'-(3,5-dichlorophenyl)-N-(2-fluorophenyl)oxamide
CID 108520851
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 18289861
N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide
CID 4810053
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
N-[(Z)-1-(2,4-dichlorophenyl)-3-[4-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 21385080
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
2-cyano-3-(3,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 78575259

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide (CID 2374084) is 2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide is O=C(Nc1ccccc1F)C(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide?
The InChIKey is GVLMCNYTUXAODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F2N2O2/c23-14-10-9-13(16(24)12-14)11-15(21(29)27-19-7-3-1-5-17(19)25)22(30)28-20-8-4-2-6-18(20)26/h1-12H,(H,27,29)(H,28,30).
What are the key properties of 2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide?
2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide has a molecular weight of 447.27 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide is sourced from PubChem (CID 2374084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).