N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C21H19F3N2O2 — CID 143726600

IUPACN-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESC=N/C(=C(/NC(=O)C1(C(F)(F)F)CC1)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19F3N2O2/c1-25-17(16-10-6-3-7-11-16)18(28-14-15-8-4-2-5-9-15)26-19(27)20(12-13-20)21(22,23)24/h2-11H,1,12-14H2,(H,26,27)/b18-17-
InChIKeyPJHUZXJCVITJKE-ZCXUNETKSA-N
MW388.39 g/mol
LogP4.69
Rot. Bonds7

About N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 143726600) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID143726600
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC NameN-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESC=N/C(=C(/NC(=O)C1(C(F)(F)F)CC1)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19F3N2O2/c1-25-17(16-10-6-3-7-11-16)18(28-14-15-8-4-2-5-9-15)26-19(27)20(12-13-20)21(22,23)24/h2-11H,1,12-14H2,(H,26,27)/b18-17-
InChIKeyPJHUZXJCVITJKE-ZCXUNETKSA-N
XLogP4.69
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.69
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-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 71085668
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 71085672
2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide
CID 143726664
(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde
CID 143726727
2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide
CID 143726730
N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide
CID 143726740
(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine
CID 143726728
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)cyclopropanecarboxamide
CID 71085656
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2,2-dimethylpropanamide
CID 71085828
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 N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 143726600) is N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is C=N/C(=C(/NC(=O)C1(C(F)(F)F)CC1)OCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is PJHUZXJCVITJKE-ZCXUNETKSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-25-17(16-10-6-3-7-11-16)18(28-14-15-8-4-2-5-9-15)26-19(27)20(12-13-20)21(22,23)24/h2-11H,1,12-14H2,(H,26,27)/b18-17-.
What are the key properties of N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 143726600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).