1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

C30H30F2N4O4 — CID 143627100

About 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 143627100) has the molecular formula C30H30F2N4O4 and a molecular weight of 548.59 g/mol. Its IUPAC name is 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
• PubChem CID: 143627100
• Molecular Formula: C30H30F2N4O4
• Molecular Weight: 548.59 g/mol
• Exact Mass: 548.22
• IUPAC Name: 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
• SMILES: CC1(C)C(=O)CCN(CC(=O)Nc2ccc3c(c2)CC(C(=O)Nc2ccccn2)C3)C1=O.Fc1cccc(F)c1
• InChI: InChI=1S/C24H26N4O4.C6H4F2/c1-24(2)19(29)8-10-28(23(24)32)14-21(30)26-18-7-6-15-11-17(12-16(15)13-18)22(31)27-20-5-3-4-9-25-20;7-5-2-1-3-6(8)4-5/h3-7,9,13,17H,8,10-12,14H2,1-2H3,(H,26,30)(H,25,27,31);1-4H
• InChIKey: NTYUSTCREPGWHS-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.59
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

The IUPAC name of 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (CID 143627100) is 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

What is the SMILES notation for 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

The canonical SMILES for 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is CC1(C)C(=O)CCN(CC(=O)Nc2ccc3c(c2)CC(C(=O)Nc2ccccn2)C3)C1=O.Fc1cccc(F)c1.

What is the InChIKey of 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

The InChIKey is NTYUSTCREPGWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4.C6H4F2/c1-24(2)19(29)8-10-28(23(24)32)14-21(30)26-18-7-6-15-11-17(12-16(15)13-18)22(31)27-20-5-3-4-9-25-20;7-5-2-1-3-6(8)4-5/h3-7,9,13,17H,8,10-12,14H2,1-2H3,(H,26,30)(H,25,27,31);1-4H.

What are the key properties of 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 548.59 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluorobenzene;5-[[2-(3,3-dimethyl-2,4-dioxopiperidin-1-yl)acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 143627100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).