N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C29H25FN4O — CID 126394581

About N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 126394581) has the molecular formula C29H25FN4O and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
• PubChem CID: 126394581
• Molecular Formula: C29H25FN4O
• Molecular Weight: 464.54 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
• SMILES: Cc1c(/C=N\NC(=O)CNc2cccc3ccccc23)c2ccccc2n1Cc1ccc(F)cc1
• InChI: InChI=1S/C29H25FN4O/c1-20-26(25-10-4-5-12-28(25)34(20)19-21-13-15-23(30)16-14-21)17-32-33-29(35)18-31-27-11-6-8-22-7-2-3-9-24(22)27/h2-17,31H,18-19H2,1H3,(H,33,35)/b32-17-
• InChIKey: BQZNBLIRLJCXLB-KYHGBAKBSA-N
• XLogP: 5.85
• TPSA: 58.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.54
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?

The IUPAC name of N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 126394581) is N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

What is the SMILES notation for N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?

The canonical SMILES for N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide is Cc1c(/C=N\NC(=O)CNc2cccc3ccccc23)c2ccccc2n1Cc1ccc(F)cc1.

What is the InChIKey of N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?

The InChIKey is BQZNBLIRLJCXLB-KYHGBAKBSA-N. The full InChI is InChI=1S/C29H25FN4O/c1-20-26(25-10-4-5-12-28(25)34(20)19-21-13-15-23(30)16-14-21)17-32-33-29(35)18-31-27-11-6-8-22-7-2-3-9-24(22)27/h2-17,31H,18-19H2,1H3,(H,33,35)/b32-17-.

What are the key properties of N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?

N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 464.54 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 126394581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).