2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N4O — CID 119119654

IUPAC2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESN/C(=N\CC(=O)NCC(F)(F)F)Nc1ccccc1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)7-17-9(19)6-16-10(15)18-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,19)(H3,15,16,18)
InChIKeyUMLSADGVLHIAEK-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.09
Rot. Bonds4

About 2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 119119654) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID119119654
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESN/C(=N\CC(=O)NCC(F)(F)F)Nc1ccccc1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)7-17-9(19)6-16-10(15)18-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,19)(H3,15,16,18)
InChIKeyUMLSADGVLHIAEK-UHFFFAOYSA-N
XLogP1.09
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.09
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-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
CID 111073649
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 110917022
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111090959
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073638
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
CID 111073617
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-propylacetamide
CID 111032162
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 119119654) is 2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide is N/C(=N\CC(=O)NCC(F)(F)F)Nc1ccccc1.
What is the InChIKey of 2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UMLSADGVLHIAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)7-17-9(19)6-16-10(15)18-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,19)(H3,15,16,18).
What are the key properties of 2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 274.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 119119654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).