2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide

C24H22Cl3F7N2O — CID 130268940

About 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide

2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide (PubChem CID 130268940) has the molecular formula C24H22Cl3F7N2O and a molecular weight of 593.80 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
• PubChem CID: 130268940
• Molecular Formula: C24H22Cl3F7N2O
• Molecular Weight: 593.80 g/mol
• Exact Mass: 592.07
• IUPAC Name: 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide
• SMILES: Cc1cc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)ccc1C(=O)N[C@H](C)CN(C)CC(F)(F)F
• InChI: InChI=1S/C24H22Cl3F7N2O/c1-12-6-14(4-5-16(12)22(37)35-13(2)10-36(3)11-23(29,30)31)20(28)9-17(24(32,33)34)15-7-18(25)21(27)19(26)8-15/h4-9,13,17H,10-11H2,1-3H3,(H,35,37)/b20-9-/t13-,17?/m1/s1
• InChIKey: JPGVBMVDOLKEAZ-RVBGZCLRSA-N
• XLogP: 8.22
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.80
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide?

The IUPAC name of 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide (CID 130268940) is 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide.

What is the SMILES notation for 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide?

The canonical SMILES for 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide is Cc1cc(/C(F)=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)ccc1C(=O)N[C@H](C)CN(C)CC(F)(F)F.

What is the InChIKey of 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide?

The InChIKey is JPGVBMVDOLKEAZ-RVBGZCLRSA-N. The full InChI is InChI=1S/C24H22Cl3F7N2O/c1-12-6-14(4-5-16(12)22(37)35-13(2)10-36(3)11-23(29,30)31)20(28)9-17(24(32,33)34)15-7-18(25)21(27)19(26)8-15/h4-9,13,17H,10-11H2,1-3H3,(H,35,37)/b20-9-/t13-,17?/m1/s1.

What are the key properties of 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide?

2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide has a molecular weight of 593.80 g/mol, XLogP of 8.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]propan-2-yl]-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide is sourced from PubChem (CID 130268940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).