N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide

C26H30Cl4N4O4 — CID 158773129

About N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide

N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 158773129) has the molecular formula C26H30Cl4N4O4 and a molecular weight of 604.36 g/mol. Its IUPAC name is N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
• PubChem CID: 158773129
• Molecular Formula: C26H30Cl4N4O4
• Molecular Weight: 604.36 g/mol
• Exact Mass: 602.10
• IUPAC Name: N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
• SMILES: COc1c(Cl)cc2[nH]cc(CCNC(C)=O)c2c1Cl.COc1c(Cl)cc2c(c1Cl)C(CCNC(C)=O)CN2
• InChI: InChI=1S/C13H16Cl2N2O2.C13H14Cl2N2O2/c2*1-7(18)16-4-3-8-6-17-10-5-9(14)13(19-2)12(15)11(8)10/h5,8,17H,3-4,6H2,1-2H3,(H,16,18);5-6,17H,3-4H2,1-2H3,(H,16,18)
• InChIKey: IQCYKHZWTNZPAV-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 104.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.36
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?

The IUPAC name of N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 158773129) is N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide.

What is the SMILES notation for N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?

The canonical SMILES for N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1c(Cl)cc2[nH]cc(CCNC(C)=O)c2c1Cl.COc1c(Cl)cc2c(c1Cl)C(CCNC(C)=O)CN2.

What is the InChIKey of N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?

The InChIKey is IQCYKHZWTNZPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2.C13H14Cl2N2O2/c2*1-7(18)16-4-3-8-6-17-10-5-9(14)13(19-2)12(15)11(8)10/h5,8,17H,3-4,6H2,1-2H3,(H,16,18);5-6,17H,3-4H2,1-2H3,(H,16,18).

What are the key properties of N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?

N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 604.36 g/mol, XLogP of 6.20, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 158773129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).