(E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide

C23H15Cl2F2N3O2 — CID 6165611

About (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide

(E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide (PubChem CID 6165611) has the molecular formula C23H15Cl2F2N3O2 and a molecular weight of 474.29 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
• PubChem CID: 6165611
• Molecular Formula: C23H15Cl2F2N3O2
• Molecular Weight: 474.29 g/mol
• Exact Mass: 473.05
• IUPAC Name: (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
• SMILES: O=C(/C=C/c1c(F)cccc1Cl)Nc1cccc(NC(=O)/C=C/c2c(F)cccc2Cl)n1
• InChI: InChI=1S/C23H15Cl2F2N3O2/c24-16-4-1-6-18(26)14(16)10-12-22(31)29-20-8-3-9-21(28-20)30-23(32)13-11-15-17(25)5-2-7-19(15)27/h1-13H,(H2,28,29,30,31,32)/b12-10+,13-11+
• InChIKey: GZRYEOUVUUKQHW-DCIPZJNNSA-N
• XLogP: 5.97
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.29
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?

The IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide (CID 6165611) is (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide.

What is the SMILES notation for (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?

The canonical SMILES for (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide is O=C(/C=C/c1c(F)cccc1Cl)Nc1cccc(NC(=O)/C=C/c2c(F)cccc2Cl)n1.

What is the InChIKey of (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?

The InChIKey is GZRYEOUVUUKQHW-DCIPZJNNSA-N. The full InChI is InChI=1S/C23H15Cl2F2N3O2/c24-16-4-1-6-18(26)14(16)10-12-22(31)29-20-8-3-9-21(28-20)30-23(32)13-11-15-17(25)5-2-7-19(15)27/h1-13H,(H2,28,29,30,31,32)/b12-10+,13-11+.

What are the key properties of (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?

(E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide has a molecular weight of 474.29 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 6165611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).