N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide

C20H14F2N2O2S — CID 4810053

IUPACN,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide
SMILESO=C(Nc1ccccc1F)C(=Cc1cccs1)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H14F2N2O2S/c21-15-7-1-3-9-17(15)23-19(25)14(12-13-6-5-11-27-13)20(26)24-18-10-4-2-8-16(18)22/h1-12H,(H,23,25)(H,24,26)
InChIKeyIANTZCQXXVBGQN-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.69
Rot. Bonds5

About N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide

N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide (PubChem CID 4810053) has the molecular formula C20H14F2N2O2S and a molecular weight of 384.41 g/mol. Its IUPAC name is N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide
PubChem CID4810053
Molecular FormulaC20H14F2N2O2S
Molecular Weight384.41 g/mol
Exact Mass384.07
IUPAC NameN,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide
SMILESO=C(Nc1ccccc1F)C(=Cc1cccs1)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H14F2N2O2S/c21-15-7-1-3-9-17(15)23-19(25)14(12-13-6-5-11-27-13)20(26)24-18-10-4-2-8-16(18)22/h1-12H,(H,23,25)(H,24,26)
InChIKeyIANTZCQXXVBGQN-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3639139
2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 27131160
(2E)-3-oxo-2-(thiophen-2-ylmethylidene)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 8865261
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 2374084
N,N'-bis(3-chlorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide
CID 2455673
2-(thiophen-2-ylmethylidene)propanediamide
CID 5079332
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
(E)-2-cyano-N-(2-iodophenyl)-3-thiophen-2-ylprop-2-enamide
CID 19171871
N-[(Z)-3-(2-hydroxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22303810
2-bromo-N-(2-fluorophenyl)but-2-enamide
CID 54001834
2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide
CID 4065787

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide?
The IUPAC name of N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide (CID 4810053) is N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide.
What is the SMILES notation for N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide?
The canonical SMILES for N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide is O=C(Nc1ccccc1F)C(=Cc1cccs1)C(=O)Nc1ccccc1F.
What is the InChIKey of N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide?
The InChIKey is IANTZCQXXVBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2S/c21-15-7-1-3-9-17(15)23-19(25)14(12-13-6-5-11-27-13)20(26)24-18-10-4-2-8-16(18)22/h1-12H,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide?
N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide has a molecular weight of 384.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-fluorophenyl)-2-(thiophen-2-ylmethylidene)propanediamide is sourced from PubChem (CID 4810053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).