2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide

C19H14F6N2O2 — CID 143726730

IUPAC2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide
SMILESC=N/C(=C(/NC(=O)C(F)(F)F)OCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H14F6N2O2/c1-26-15(13-5-3-2-4-6-13)16(27-17(28)19(23,24)25)29-11-12-7-9-14(10-8-12)18(20,21)22/h2-10H,1,11H2,(H,27,28)/b16-15-
InChIKeyCTEHRAMBMAHRKA-NXVVXOECSA-N
MW416.32 g/mol
LogP4.93
Rot. Bonds6

About 2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide

2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide (PubChem CID 143726730) has the molecular formula C19H14F6N2O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide
PubChem CID143726730
Molecular FormulaC19H14F6N2O2
Molecular Weight416.32 g/mol
Exact Mass416.10
IUPAC Name2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide
SMILESC=N/C(=C(/NC(=O)C(F)(F)F)OCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H14F6N2O2/c1-26-15(13-5-3-2-4-6-13)16(27-17(28)19(23,24)25)29-11-12-7-9-14(10-8-12)18(20,21)22/h2-10H,1,11H2,(H,27,28)/b16-15-
InChIKeyCTEHRAMBMAHRKA-NXVVXOECSA-N
XLogP4.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 143726600
2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide
CID 143726664
N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde
CID 143726678
(Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde
CID 143726698
(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde
CID 143726727
N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide
CID 143726740
N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine
CID 143726679
(Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine
CID 143726699
(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine
CID 143726728
2-methyl-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]butanamide
CID 143726529
(2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide
CID 143726570
tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate
CID 143726586

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide (CID 143726730) is 2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide is C=N/C(=C(/NC(=O)C(F)(F)F)OCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide?
The InChIKey is CTEHRAMBMAHRKA-NXVVXOECSA-N. The full InChI is InChI=1S/C19H14F6N2O2/c1-26-15(13-5-3-2-4-6-13)16(27-17(28)19(23,24)25)29-11-12-7-9-14(10-8-12)18(20,21)22/h2-10H,1,11H2,(H,27,28)/b16-15-.
What are the key properties of 2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide?
2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide has a molecular weight of 416.32 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide is sourced from PubChem (CID 143726730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).