N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide

C50H42Cl2FN5O7 — CID 158017262

About N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide

N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide (PubChem CID 158017262) has the molecular formula C50H42Cl2FN5O7 and a molecular weight of 914.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide
• PubChem CID: 158017262
• Molecular Formula: C50H42Cl2FN5O7
• Molecular Weight: 914.82 g/mol
• Exact Mass: 913.24
• IUPAC Name: N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide
• SMILES: COc1ccc(Cn2c(C)c(C(=O)C(=O)Nc3ccnc(Cl)c3)c3cc(OC)ccc32)cc1.COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(Cl)c1)c(C)n2Cc1ccc(F)cc1
• InChI: InChI=1S/C25H20ClFN2O3.C25H22ClN3O4/c1-15-23(24(30)25(31)28-19-5-3-4-17(26)12-19)21-13-20(32-2)10-11-22(21)29(15)14-16-6-8-18(27)9-7-16;1-15-23(24(30)25(31)28-17-10-11-27-22(26)12-17)20-13-19(33-3)8-9-21(20)29(15)14-16-4-6-18(32-2)7-5-16/h3-13H,14H2,1-2H3,(H,28,31);4-13H,14H2,1-3H3,(H,27,28,31)
• InChIKey: FFPXLUFJNKFVLQ-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 142.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.82
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide?

The IUPAC name of N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide (CID 158017262) is N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide.

What is the SMILES notation for N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide?

The canonical SMILES for N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide is COc1ccc(Cn2c(C)c(C(=O)C(=O)Nc3ccnc(Cl)c3)c3cc(OC)ccc32)cc1.COc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(Cl)c1)c(C)n2Cc1ccc(F)cc1.

What is the InChIKey of N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide?

The InChIKey is FFPXLUFJNKFVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O3.C25H22ClN3O4/c1-15-23(24(30)25(31)28-19-5-3-4-17(26)12-19)21-13-20(32-2)10-11-22(21)29(15)14-16-6-8-18(27)9-7-16;1-15-23(24(30)25(31)28-17-10-11-27-22(26)12-17)20-13-19(33-3)8-9-21(20)29(15)14-16-4-6-18(32-2)7-5-16/h3-13H,14H2,1-2H3,(H,28,31);4-13H,14H2,1-3H3,(H,27,28,31).

What are the key properties of N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide?

N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide has a molecular weight of 914.82 g/mol, XLogP of 10.51, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxoacetamide;N-(2-chloro-4-pyridinyl)-2-[5-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 158017262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).