(1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine

C23H21ClF4N2 — CID 143473697

About (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine

(1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine (PubChem CID 143473697) has the molecular formula C23H21ClF4N2 and a molecular weight of 436.88 g/mol. Its IUPAC name is (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine.

Molecular Properties

• Compound Name: (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
• PubChem CID: 143473697
• Molecular Formula: C23H21ClF4N2
• Molecular Weight: 436.88 g/mol
• Exact Mass: 436.13
• IUPAC Name: (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
• SMILES: C=C/C=C(\C=C)C[C@](NC(=C)C)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1
• InChI: InChI=1S/C23H21ClF4N2/c1-5-7-16(6-2)13-22(30-15(3)4,21-9-8-19(24)14-29-21)17-10-18(23(26,27)28)12-20(25)11-17/h5-12,14,30H,1-3,13H2,4H3/b16-7+/t22-/m0/s1
• InChIKey: FPXRVORNUDZDIT-RWHUQTJRSA-N
• XLogP: 6.95
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.88
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?

The IUPAC name of (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine (CID 143473697) is (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine.

What is the SMILES notation for (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?

The canonical SMILES for (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine is C=C/C=C(\C=C)C[C@](NC(=C)C)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.

What is the InChIKey of (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?

The InChIKey is FPXRVORNUDZDIT-RWHUQTJRSA-N. The full InChI is InChI=1S/C23H21ClF4N2/c1-5-7-16(6-2)13-22(30-15(3)4,21-9-8-19(24)14-29-21)17-10-18(23(26,27)28)12-20(25)11-17/h5-12,14,30H,1-3,13H2,4H3/b16-7+/t22-/m0/s1.

What are the key properties of (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?

(1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine has a molecular weight of 436.88 g/mol, XLogP of 6.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3Z)-1-(5-chloro-2-pyridinyl)-3-ethenyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-prop-1-en-2-ylhexa-3,5-dien-1-amine is sourced from PubChem (CID 143473697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).