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

C18H19F3N4O2 — CID 111090959

IUPAC2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESN/C(=N\CC(=O)NCCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)27-15-8-6-14(7-9-15)25-17(22)24-12-16(26)23-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,23,26)(H3,22,24,25)
InChIKeyJBCDTTLFQGEQIZ-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.67
Rot. Bonds7

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

2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide (PubChem CID 111090959) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
PubChem CID111090959
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESN/C(=N\CC(=O)NCCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)27-15-8-6-14(7-9-15)25-17(22)24-12-16(26)23-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,23,26)(H3,22,24,25)
InChIKeyJBCDTTLFQGEQIZ-UHFFFAOYSA-N
XLogP2.67
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.67
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-phenylacetamide
CID 111073649
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-propylacetamide
CID 111032162
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
2-(3-phenylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111024907
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
CID 111073617
2-[2-(4-fluorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111025535
2-(2-hydroxy-3-phenylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111099807
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
CID 7958308
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 119119654
3-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111058728

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide (CID 111090959) is 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide is N/C(=N\CC(=O)NCCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is JBCDTTLFQGEQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)27-15-8-6-14(7-9-15)25-17(22)24-12-16(26)23-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,23,26)(H3,22,24,25).
What are the key properties of 2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide?
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 380.37 g/mol, XLogP of 2.67, 7 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 111090959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).