N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide

C18H16F3N3O — CID 142372061

IUPACN-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide
SMILESNC(/C=C\Nc1cccc(C(F)(F)F)c1)=N\C(=O)Cc1ccccc1
InChIInChI=1S/C18H16F3N3O/c19-18(20,21)14-7-4-8-15(12-14)23-10-9-16(22)24-17(25)11-13-5-2-1-3-6-13/h1-10,12,23H,11H2,(H2,22,24,25)/b10-9-
InChIKeyIKSLUQBVJGWBDF-KTKRTIGZSA-N
MW347.34 g/mol
LogP3.76
Rot. Bonds5

About N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide

N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide (PubChem CID 142372061) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide
PubChem CID142372061
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide
SMILESNC(/C=C\Nc1cccc(C(F)(F)F)c1)=N\C(=O)Cc1ccccc1
InChIInChI=1S/C18H16F3N3O/c19-18(20,21)14-7-4-8-15(12-14)23-10-9-16(22)24-17(25)11-13-5-2-1-3-6-13/h1-10,12,23H,11H2,(H2,22,24,25)/b10-9-
InChIKeyIKSLUQBVJGWBDF-KTKRTIGZSA-N
XLogP3.76
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
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

1,1,1-trifluoro-4-[3-(trifluoromethyl)anilino]but-3-en-2-one
CID 2842949
4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 57294519
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
(E)-1-(4-methylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 2267875
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
(Z)-2-imino-3-oxo-5-[3-(trifluoromethyl)anilino]pent-4-enehydrazide
CID 163566114
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90534599
(E)-1-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 46858523
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 143812928

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide?
The IUPAC name of N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide (CID 142372061) is N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide is NC(/C=C\Nc1cccc(C(F)(F)F)c1)=N\C(=O)Cc1ccccc1.
What is the InChIKey of N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide?
The InChIKey is IKSLUQBVJGWBDF-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H16F3N3O/c19-18(20,21)14-7-4-8-15(12-14)23-10-9-16(22)24-17(25)11-13-5-2-1-3-6-13/h1-10,12,23H,11H2,(H2,22,24,25)/b10-9-.
What are the key properties of N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide?
N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide has a molecular weight of 347.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide is sourced from PubChem (CID 142372061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).