2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide

C16H15F3N4O2 — CID 111073649

IUPAC2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
SMILESN/C(=N\CC(=O)Nc1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)25-13-8-6-12(7-9-13)23-15(20)21-10-14(24)22-11-4-2-1-3-5-11/h1-9H,10H2,(H,22,24)(H3,20,21,23)
InChIKeyRSOZBNOIVZNHPF-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.95
Rot. Bonds5

About 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide

2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide (PubChem CID 111073649) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
PubChem CID111073649
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
SMILESN/C(=N\CC(=O)Nc1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)25-13-8-6-12(7-9-13)23-15(20)21-10-14(24)22-11-4-2-1-3-5-11/h1-9H,10H2,(H,22,24)(H3,20,21,23)
InChIKeyRSOZBNOIVZNHPF-UHFFFAOYSA-N
XLogP2.95
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-phenylethyl)acetamide
CID 111090959
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-propylacetamide
CID 111032162
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 119119654
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
2-(2-oxo-2-piperidin-1-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111058320
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-(3-phenylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111024907
2-[2-(benzenesulfinyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111809859
(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366572
2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 110917022
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111097787

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide?
The IUPAC name of 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide (CID 111073649) is 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide is N/C(=N\CC(=O)Nc1ccccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide?
The InChIKey is RSOZBNOIVZNHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)25-13-8-6-12(7-9-13)23-15(20)21-10-14(24)22-11-4-2-1-3-5-11/h1-9H,10H2,(H,22,24)(H3,20,21,23).
What are the key properties of 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide?
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide has a molecular weight of 352.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide is sourced from PubChem (CID 111073649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).