(Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide

C24H16BrCl3N2O2 — CID 124541706

About (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide

(Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide (PubChem CID 124541706) has the molecular formula C24H16BrCl3N2O2 and a molecular weight of 550.67 g/mol. Its IUPAC name is (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide.

Molecular Properties

• Compound Name: (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide
• PubChem CID: 124541706
• Molecular Formula: C24H16BrCl3N2O2
• Molecular Weight: 550.67 g/mol
• Exact Mass: 547.95
• IUPAC Name: (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide
• SMILES: Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C24H16BrCl3N2O2/c1-14-20(27)3-2-4-22(14)30-24(31)17(12-29)9-16-10-18(25)6-8-23(16)32-13-15-5-7-19(26)11-21(15)28/h2-11H,13H2,1H3,(H,30,31)/b17-9-
• InChIKey: SXSWADYAAARHTL-MFOYZWKCSA-N
• XLogP: 7.84
• TPSA: 62.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.67
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide?

The IUPAC name of (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide (CID 124541706) is (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide.

What is the SMILES notation for (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide?

The canonical SMILES for (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide is Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide?

The InChIKey is SXSWADYAAARHTL-MFOYZWKCSA-N. The full InChI is InChI=1S/C24H16BrCl3N2O2/c1-14-20(27)3-2-4-22(14)30-24(31)17(12-29)9-16-10-18(25)6-8-23(16)32-13-15-5-7-19(26)11-21(15)28/h2-11H,13H2,1H3,(H,30,31)/b17-9-.

What are the key properties of (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide?

(Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide has a molecular weight of 550.67 g/mol, XLogP of 7.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 124541706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).