N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide

C34H31FN4O4 — CID 43819590

About N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide

N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide (PubChem CID 43819590) has the molecular formula C34H31FN4O4 and a molecular weight of 578.64 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide
• PubChem CID: 43819590
• Molecular Formula: C34H31FN4O4
• Molecular Weight: 578.64 g/mol
• Exact Mass: 578.23
• IUPAC Name: N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide
• SMILES: Cc1ccccc1CN(C(=O)CN1C(=O)C(=O)c2ccccc21)C(C(=O)Nc1ccc(N(C)C)cc1)c1cccc(F)c1
• InChI: InChI=1S/C34H31FN4O4/c1-22-9-4-5-10-24(22)20-39(30(40)21-38-29-14-7-6-13-28(29)32(41)34(38)43)31(23-11-8-12-25(35)19-23)33(42)36-26-15-17-27(18-16-26)37(2)3/h4-19,31H,20-21H2,1-3H3,(H,36,42)
• InChIKey: BRFDTDAENZKCLE-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.64
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide?

The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide (CID 43819590) is N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide.

What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide?

The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide is Cc1ccccc1CN(C(=O)CN1C(=O)C(=O)c2ccccc21)C(C(=O)Nc1ccc(N(C)C)cc1)c1cccc(F)c1.

What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide?

The InChIKey is BRFDTDAENZKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31FN4O4/c1-22-9-4-5-10-24(22)20-39(30(40)21-38-29-14-7-6-13-28(29)32(41)34(38)43)31(23-11-8-12-25(35)19-23)33(42)36-26-15-17-27(18-16-26)37(2)3/h4-19,31H,20-21H2,1-3H3,(H,36,42).

What are the key properties of N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide?

N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide has a molecular weight of 578.64 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 43819590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).