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

C48H38Cl3N5O5 — CID 87347894

IUPAC2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide
SMILESCOc1cccc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1.Cc1c(C(=O)C(=O)Nc2ccnc(Cl)c2)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H21ClN2O3.C23H17Cl2N3O2/c1-16-23(24(29)25(30)27-19-6-5-7-20(14-19)31-2)21-8-3-4-9-22(21)28(16)15-17-10-12-18(26)13-11-17;1-14-21(22(29)23(30)27-17-10-11-26-20(25)12-17)18-4-2-3-5-19(18)28(14)13-15-6-8-16(24)9-7-15/h3-14H,15H2,1-2H3,(H,27,30);2-12H,13H2,1H3,(H,26,27,30)
InChIKeySFWLSNOLNBJQBT-UHFFFAOYSA-N
MW871.22 g/mol
LogP11.00
Rot. Bonds11

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

2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide (PubChem CID 87347894) has the molecular formula C48H38Cl3N5O5 and a molecular weight of 871.22 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide
PubChem CID87347894
Molecular FormulaC48H38Cl3N5O5
Molecular Weight871.22 g/mol
Exact Mass869.19
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide
SMILESCOc1cccc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1.Cc1c(C(=O)C(=O)Nc2ccnc(Cl)c2)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H21ClN2O3.C23H17Cl2N3O2/c1-16-23(24(29)25(30)27-19-6-5-7-20(14-19)31-2)21-8-3-4-9-22(21)28(16)15-17-10-12-18(26)13-11-17;1-14-21(22(29)23(30)27-17-10-11-26-20(25)12-17)18-4-2-3-5-19(18)28(14)13-15-6-8-16(24)9-7-15/h3-14H,15H2,1-2H3,(H,27,30);2-12H,13H2,1H3,(H,26,27,30)
InChIKeySFWLSNOLNBJQBT-UHFFFAOYSA-N
XLogP11.00
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.22
LogP ≤ 511.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 49835116
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CID 68283036
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CID 68284396
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CID 71009625
2-[1-(4-chloro-3-methoxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
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CID 46227956

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide (CID 87347894) is 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide is COc1cccc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1.Cc1c(C(=O)C(=O)Nc2ccnc(Cl)c2)c2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide?
The InChIKey is SFWLSNOLNBJQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3.C23H17Cl2N3O2/c1-16-23(24(29)25(30)27-19-6-5-7-20(14-19)31-2)21-8-3-4-9-22(21)28(16)15-17-10-12-18(26)13-11-17;1-14-21(22(29)23(30)27-17-10-11-26-20(25)12-17)18-4-2-3-5-19(18)28(14)13-15-6-8-16(24)9-7-15/h3-14H,15H2,1-2H3,(H,27,30);2-12H,13H2,1H3,(H,26,27,30).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide?
2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide has a molecular weight of 871.22 g/mol, XLogP of 11.00, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 87347894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).