3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine

C25H30F7N3O3 — CID 142070507

About 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine

3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine (PubChem CID 142070507) has the molecular formula C25H30F7N3O3 and a molecular weight of 553.52 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine
• PubChem CID: 142070507
• Molecular Formula: C25H30F7N3O3
• Molecular Weight: 553.52 g/mol
• Exact Mass: 553.22
• IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine
• SMILES: CCCN(C)C.CNC(=O)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(NC=O)c1ccc(F)cc1
• InChI: InChI=1S/C20H17F7N2O3.C5H13N/c1-28-17(31)18(29-11-30,13-2-4-16(21)5-3-13)10-32-9-12-6-14(19(22,23)24)8-15(7-12)20(25,26)27;1-4-5-6(2)3/h2-8,11H,9-10H2,1H3,(H,28,31)(H,29,30);4-5H2,1-3H3
• InChIKey: RNHTZAVKRROJET-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.52
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine?

The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine (CID 142070507) is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine.

What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine?

The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine is CCCN(C)C.CNC(=O)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(NC=O)c1ccc(F)cc1.

What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine?

The InChIKey is RNHTZAVKRROJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F7N2O3.C5H13N/c1-28-17(31)18(29-11-30,13-2-4-16(21)5-3-13)10-32-9-12-6-14(19(22,23)24)8-15(7-12)20(25,26)27;1-4-5-6(2)3/h2-8,11H,9-10H2,1H3,(H,28,31)(H,29,30);4-5H2,1-3H3.

What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine?

3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine has a molecular weight of 553.52 g/mol, XLogP of 4.73, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)-2-formamido-N-methylpropanamide;N,N-dimethylpropan-1-amine is sourced from PubChem (CID 142070507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).