propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate

C18H23F3N2O — CID 169205166

IUPACpropyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate
SMILESC/C=C\N=C(OCCC)\C(=C\CC)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O/c1-4-7-16(17(22-12-5-2)24-13-6-3)23-15-10-8-14(9-11-15)18(19,20)21/h5,7-12,23H,4,6,13H2,1-3H3/b12-5-,16-7-,22-17-
InChIKeyHQNBSFWEBASYBG-WUVSMVNTSA-N
MW340.39 g/mol
LogP5.77
Rot. Bonds7

About propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate

propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate (PubChem CID 169205166) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate.

Molecular Properties

Compound Namepropyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate
PubChem CID169205166
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Namepropyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate
SMILESC/C=C\N=C(OCCC)\C(=C\CC)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O/c1-4-7-16(17(22-12-5-2)24-13-6-3)23-15-10-8-14(9-11-15)18(19,20)21/h5,7-12,23H,4,6,13H2,1-3H3/b12-5-,16-7-,22-17-
InChIKeyHQNBSFWEBASYBG-WUVSMVNTSA-N
XLogP5.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.39
LogP ≤ 55.77
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate?
The IUPAC name of propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate (CID 169205166) is propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate.
What is the SMILES notation for propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate?
The canonical SMILES for propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate is C/C=C\N=C(OCCC)\C(=C\CC)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate?
The InChIKey is HQNBSFWEBASYBG-WUVSMVNTSA-N. The full InChI is InChI=1S/C18H23F3N2O/c1-4-7-16(17(22-12-5-2)24-13-6-3)23-15-10-8-14(9-11-15)18(19,20)21/h5,7-12,23H,4,6,13H2,1-3H3/b12-5-,16-7-,22-17-.
What are the key properties of propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate?
propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate has a molecular weight of 340.39 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (Z)-N-[(Z)-prop-1-enyl]-2-[4-(trifluoromethyl)anilino]pent-2-enimidate is sourced from PubChem (CID 169205166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).