2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide

C13H18F2N4O — CID 120663306

IUPAC2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
SMILESCc1ccc(N/C(N)=N/CC(=O)NCC(F)F)cc1C
InChIInChI=1S/C13H18F2N4O/c1-8-3-4-10(5-9(8)2)19-13(16)18-7-12(20)17-6-11(14)15/h3-5,11H,6-7H2,1-2H3,(H,17,20)(H3,16,18,19)
InChIKeyZUWKDWJPBJJWFT-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.41
Rot. Bonds5

About 2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide

2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide (PubChem CID 120663306) has the molecular formula C13H18F2N4O and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
PubChem CID120663306
Molecular FormulaC13H18F2N4O
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
SMILESCc1ccc(N/C(N)=N/CC(=O)NCC(F)F)cc1C
InChIInChI=1S/C13H18F2N4O/c1-8-3-4-10(5-9(8)2)19-13(16)18-7-12(20)17-6-11(14)15/h3-5,11H,6-7H2,1-2H3,(H,17,20)(H3,16,18,19)
InChIKeyZUWKDWJPBJJWFT-UHFFFAOYSA-N
XLogP1.41
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-difluoroethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111757705
1-(3,4-dimethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058301
1-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111058051
2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 111073728
N-[4-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086215
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111056501
1-(3,4-dimethylphenyl)-2-(2-ethylbutyl)guanidine
CID 111800614
1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111046592
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111098133
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663334
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111025971
1-(3,4-dimethylphenyl)-2-[(1-methylcyclobutyl)methyl]guanidine
CID 111824757

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide (CID 120663306) is 2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide is Cc1ccc(N/C(N)=N/CC(=O)NCC(F)F)cc1C.
What is the InChIKey of 2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide?
The InChIKey is ZUWKDWJPBJJWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O/c1-8-3-4-10(5-9(8)2)19-13(16)18-7-12(20)17-6-11(14)15/h3-5,11H,6-7H2,1-2H3,(H,17,20)(H3,16,18,19).
What are the key properties of 2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide?
2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide has a molecular weight of 284.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 120663306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).