7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide

C28H34FNO6 — CID 163797065

About 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide

7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 163797065) has the molecular formula C28H34FNO6 and a molecular weight of 499.58 g/mol. Its IUPAC name is 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 163797065
• Molecular Formula: C28H34FNO6
• Molecular Weight: 499.58 g/mol
• Exact Mass: 499.24
• IUPAC Name: 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: COCCCC(=O)c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(OC)c3c2CCC3)cc1F
• InChI: InChI=1S/C28H34FNO6/c1-34-11-4-7-25(31)21-9-8-17(14-23(21)29)13-18-15-22(27(35-2)20-6-3-5-19(18)20)28(33)30-24-10-12-36-16-26(24)32/h8-9,14-15,24,26,32H,3-7,10-13,16H2,1-2H3,(H,30,33)/t24-,26-/m0/s1
• InChIKey: NBSKIFTZSKOIBX-AHWVRZQESA-N
• XLogP: 3.40
• TPSA: 94.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.58
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide (CID 163797065) is 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide is COCCCC(=O)c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(OC)c3c2CCC3)cc1F.

What is the InChIKey of 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is NBSKIFTZSKOIBX-AHWVRZQESA-N. The full InChI is InChI=1S/C28H34FNO6/c1-34-11-4-7-25(31)21-9-8-17(14-23(21)29)13-18-15-22(27(35-2)20-6-3-5-19(18)20)28(33)30-24-10-12-36-16-26(24)32/h8-9,14-15,24,26,32H,3-7,10-13,16H2,1-2H3,(H,30,33)/t24-,26-/m0/s1.

What are the key properties of 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[3-fluoro-4-(4-methoxybutanoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 163797065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).