2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide

C27H27ClN2O3 — CID 155965042

About 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide

2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide (PubChem CID 155965042) has the molecular formula C27H27ClN2O3 and a molecular weight of 462.98 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide
• PubChem CID: 155965042
• Molecular Formula: C27H27ClN2O3
• Molecular Weight: 462.98 g/mol
• Exact Mass: 462.17
• IUPAC Name: 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide
• SMILES: COc1ccc2ccccc2c1CN(C(=O)CC1C(=O)Nc2cc(Cl)ccc21)C1CCCC1
• InChI: InChI=1S/C27H27ClN2O3/c1-33-25-13-10-17-6-2-5-9-20(17)23(25)16-30(19-7-3-4-8-19)26(31)15-22-21-12-11-18(28)14-24(21)29-27(22)32/h2,5-6,9-14,19,22H,3-4,7-8,15-16H2,1H3,(H,29,32)
• InChIKey: OHYHXXPHRWUMGY-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.98
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide?

The IUPAC name of 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide (CID 155965042) is 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide.

What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide?

The canonical SMILES for 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide is COc1ccc2ccccc2c1CN(C(=O)CC1C(=O)Nc2cc(Cl)ccc21)C1CCCC1.

What is the InChIKey of 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide?

The InChIKey is OHYHXXPHRWUMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O3/c1-33-25-13-10-17-6-2-5-9-20(17)23(25)16-30(19-7-3-4-8-19)26(31)15-22-21-12-11-18(28)14-24(21)29-27(22)32/h2,5-6,9-14,19,22H,3-4,7-8,15-16H2,1H3,(H,29,32).

What are the key properties of 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide?

2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide has a molecular weight of 462.98 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 155965042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).