N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide

C32H35F3N4O2 — CID 160939097

About N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide

N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide (PubChem CID 160939097) has the molecular formula C32H35F3N4O2 and a molecular weight of 564.65 g/mol. Its IUPAC name is N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide.

Molecular Properties

• Compound Name: N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide
• PubChem CID: 160939097
• Molecular Formula: C32H35F3N4O2
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.27
• IUPAC Name: N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide
• SMILES: Cc1cc(Nc2ccc(NC(=O)c3ccc(NCCCN4CCCCC4)cc3)c3c2CCC3=O)cc(C(F)(F)F)c1
• InChI: InChI=1S/C32H35F3N4O2/c1-21-18-23(32(33,34)35)20-25(19-21)37-27-11-12-28(30-26(27)10-13-29(30)40)38-31(41)22-6-8-24(9-7-22)36-14-5-17-39-15-3-2-4-16-39/h6-9,11-12,18-20,36-37H,2-5,10,13-17H2,1H3,(H,38,41)
• InChIKey: SUGNRPTUGODBID-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 73.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide?

The IUPAC name of N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide (CID 160939097) is N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide.

What is the SMILES notation for N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide?

The canonical SMILES for N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide is Cc1cc(Nc2ccc(NC(=O)c3ccc(NCCCN4CCCCC4)cc3)c3c2CCC3=O)cc(C(F)(F)F)c1.

What is the InChIKey of N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide?

The InChIKey is SUGNRPTUGODBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N4O2/c1-21-18-23(32(33,34)35)20-25(19-21)37-27-11-12-28(30-26(27)10-13-29(30)40)38-31(41)22-6-8-24(9-7-22)36-14-5-17-39-15-3-2-4-16-39/h6-9,11-12,18-20,36-37H,2-5,10,13-17H2,1H3,(H,38,41).

What are the key properties of N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide?

N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide has a molecular weight of 564.65 g/mol, XLogP of 7.43, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide is sourced from PubChem (CID 160939097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).