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

C24H19ClFN3O3 — CID 25145835

IUPAC2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(F)cc3Cl)c3ccccc23)ccn1
InChIInChI=1S/C24H19ClFN3O3/c1-14-22(23(30)24(31)28-17-9-10-27-21(12-17)32-2)18-5-3-4-6-20(18)29(14)13-15-7-8-16(26)11-19(15)25/h3-12H,13H2,1-2H3,(H,27,28,31)
InChIKeySRBLRAJOSRHFGQ-UHFFFAOYSA-N
MW451.89 g/mol
LogP5.02
Rot. Bonds6

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

2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (PubChem CID 25145835) has the molecular formula C24H19ClFN3O3 and a molecular weight of 451.89 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
PubChem CID25145835
Molecular FormulaC24H19ClFN3O3
Molecular Weight451.89 g/mol
Exact Mass451.11
IUPAC Name2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(F)cc3Cl)c3ccccc23)ccn1
InChIInChI=1S/C24H19ClFN3O3/c1-14-22(23(30)24(31)28-17-9-10-27-21(12-17)32-2)18-5-3-4-6-20(18)29(14)13-15-7-8-16(26)11-19(15)25/h3-12H,13H2,1-2H3,(H,27,28,31)
InChIKeySRBLRAJOSRHFGQ-UHFFFAOYSA-N
XLogP5.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.89
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (CID 25145835) is 2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(F)cc3Cl)c3ccccc23)ccn1.
What is the InChIKey of 2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The InChIKey is SRBLRAJOSRHFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O3/c1-14-22(23(30)24(31)28-17-9-10-27-21(12-17)32-2)18-5-3-4-6-20(18)29(14)13-15-7-8-16(26)11-19(15)25/h3-12H,13H2,1-2H3,(H,27,28,31).
What are the key properties of 2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide has a molecular weight of 451.89 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 25145835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).