(Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide

C28H18ClF4NO — CID 2328970

About (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide

(Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide (PubChem CID 2328970) has the molecular formula C28H18ClF4NO and a molecular weight of 495.90 g/mol. Its IUPAC name is (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide
• PubChem CID: 2328970
• Molecular Formula: C28H18ClF4NO
• Molecular Weight: 495.90 g/mol
• Exact Mass: 495.10
• IUPAC Name: (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide
• SMILES: O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)/C(=C\c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C28H18ClF4NO/c29-26-15-14-23(17-25(26)28(31,32)33)34-27(35)24(16-18-6-12-22(30)13-7-18)21-10-8-20(9-11-21)19-4-2-1-3-5-19/h1-17H,(H,34,35)/b24-16-
• InChIKey: NQMDKNKQPIHNBF-JLPGSUDCSA-N
• XLogP: 8.34
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.90
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide?

The IUPAC name of (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide (CID 2328970) is (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide.

What is the SMILES notation for (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide?

The canonical SMILES for (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)/C(=C\c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide?

The InChIKey is NQMDKNKQPIHNBF-JLPGSUDCSA-N. The full InChI is InChI=1S/C28H18ClF4NO/c29-26-15-14-23(17-25(26)28(31,32)33)34-27(35)24(16-18-6-12-22(30)13-7-18)21-10-8-20(9-11-21)19-4-2-1-3-5-19/h1-17H,(H,34,35)/b24-16-.

What are the key properties of (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide?

(Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide has a molecular weight of 495.90 g/mol, XLogP of 8.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 2328970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).