(Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane

C18H18F2N2O — CID 143625747

IUPAC(Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane
SMILESCC.[H]/N=C/C(=C(\C(N)=O)c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H12F2N2O.C2H6/c17-12-5-1-3-10(7-12)14(9-19)15(16(20)21)11-4-2-6-13(18)8-11;1-2/h1-9,19H,(H2,20,21);1-2H3/b15-14+,19-9+;
InChIKeySIDHOQNZIMBIJW-NVHZTXMFSA-N
MW316.35 g/mol
LogP4.04
Rot. Bonds4

About (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane

(Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane (PubChem CID 143625747) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane.

Molecular Properties

Compound Name(Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane
PubChem CID143625747
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane
SMILESCC.[H]/N=C/C(=C(\C(N)=O)c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H12F2N2O.C2H6/c17-12-5-1-3-10(7-12)14(9-19)15(16(20)21)11-4-2-6-13(18)8-11;1-2/h1-9,19H,(H2,20,21);1-2H3/b15-14+,19-9+;
InChIKeySIDHOQNZIMBIJW-NVHZTXMFSA-N
XLogP4.04
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane?
The IUPAC name of (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane (CID 143625747) is (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane.
What is the SMILES notation for (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane?
The canonical SMILES for (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane is CC.[H]/N=C/C(=C(\C(N)=O)c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane?
The InChIKey is SIDHOQNZIMBIJW-NVHZTXMFSA-N. The full InChI is InChI=1S/C16H12F2N2O.C2H6/c17-12-5-1-3-10(7-12)14(9-19)15(16(20)21)11-4-2-6-13(18)8-11;1-2/h1-9,19H,(H2,20,21);1-2H3/b15-14+,19-9+;.
What are the key properties of (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane?
(Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane has a molecular weight of 316.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane is sourced from PubChem (CID 143625747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).