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

C23H16Cl3N3O2 — CID 53307201

IUPAC2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(Cl)c1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3N3O2/c1-13-2-7-18-17(10-13)20(21(30)23(31)28-16-8-9-27-19(25)11-16)22(26)29(18)12-14-3-5-15(24)6-4-14/h2-11H,12H2,1H3,(H,27,28,31)
InChIKeyPERSLFHEPBHVQZ-UHFFFAOYSA-N
MW472.76 g/mol
LogP6.17
Rot. Bonds5

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

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide (PubChem CID 53307201) has the molecular formula C23H16Cl3N3O2 and a molecular weight of 472.76 g/mol. Its IUPAC name is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide
PubChem CID53307201
Molecular FormulaC23H16Cl3N3O2
Molecular Weight472.76 g/mol
Exact Mass471.03
IUPAC Name2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(Cl)c1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3N3O2/c1-13-2-7-18-17(10-13)20(21(30)23(31)28-16-8-9-27-19(25)11-16)22(26)29(18)12-14-3-5-15(24)6-4-14/h2-11H,12H2,1H3,(H,27,28,31)
InChIKeyPERSLFHEPBHVQZ-UHFFFAOYSA-N
XLogP6.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.76
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide (CID 53307201) is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide is Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(Cl)c1)c(Cl)n2Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide?
The InChIKey is PERSLFHEPBHVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3N3O2/c1-13-2-7-18-17(10-13)20(21(30)23(31)28-16-8-9-27-19(25)11-16)22(26)29(18)12-14-3-5-15(24)6-4-14/h2-11H,12H2,1H3,(H,27,28,31).
What are the key properties of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide?
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide has a molecular weight of 472.76 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 53307201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).