N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide

C32H35FN2O — CID 10311043

About N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide

N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 10311043) has the molecular formula C32H35FN2O and a molecular weight of 482.64 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
• PubChem CID: 10311043
• Molecular Formula: C32H35FN2O
• Molecular Weight: 482.64 g/mol
• Exact Mass: 482.27
• IUPAC Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
• SMILES: CC1=C(C)C(c2ccccc2C)N(CC(=O)N(Cc2ccccc2F)C2Cc3ccccc3C2)CC1
• InChI: InChI=1S/C32H35FN2O/c1-22-16-17-34(32(24(22)3)29-14-8-4-10-23(29)2)21-31(36)35(20-27-13-7-9-15-30(27)33)28-18-25-11-5-6-12-26(25)19-28/h4-15,28,32H,16-21H2,1-3H3
• InChIKey: UCBAHVCLSZCBRQ-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.64
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (CID 10311043) is N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is CC1=C(C)C(c2ccccc2C)N(CC(=O)N(Cc2ccccc2F)C2Cc3ccccc3C2)CC1.

What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?

The InChIKey is UCBAHVCLSZCBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN2O/c1-22-16-17-34(32(24(22)3)29-14-8-4-10-23(29)2)21-31(36)35(20-27-13-7-9-15-30(27)33)28-18-25-11-5-6-12-26(25)19-28/h4-15,28,32H,16-21H2,1-3H3.

What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?

N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 482.64 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[4,5-dimethyl-6-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 10311043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).