2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide

C23H19ClFN3O — CID 10763933

IUPAC2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide
SMILESCc1c(CC(=O)Nc2ccncc2)c2cc(Cl)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C23H19ClFN3O/c1-15-20(13-23(29)27-19-8-10-26-11-9-19)21-12-17(24)4-7-22(21)28(15)14-16-2-5-18(25)6-3-16/h2-12H,13-14H2,1H3,(H,26,27,29)
InChIKeyJIFJQRLOCBYGIW-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.37
Rot. Bonds5

About 2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide

2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide (PubChem CID 10763933) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is 2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide
PubChem CID10763933
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide
SMILESCc1c(CC(=O)Nc2ccncc2)c2cc(Cl)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C23H19ClFN3O/c1-15-20(13-23(29)27-19-8-10-26-11-9-19)21-12-17(24)4-7-22(21)28(15)14-16-2-5-18(25)6-3-16/h2-12H,13-14H2,1H3,(H,26,27,29)
InChIKeyJIFJQRLOCBYGIW-UHFFFAOYSA-N
XLogP5.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-pyridin-4-yl-2-(2,4,6-trifluorophenyl)acetamide
CID 110487556
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]acetic acid
CID 165351742
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-[6-chloro-1-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 18453730
2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide
CID 53307127
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindole-2-carboxylate
CID 15678784
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide
CID 161243659

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide (CID 10763933) is 2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide is Cc1c(CC(=O)Nc2ccncc2)c2cc(Cl)ccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide?
The InChIKey is JIFJQRLOCBYGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c1-15-20(13-23(29)27-19-8-10-26-11-9-19)21-12-17(24)4-7-22(21)28(15)14-16-2-5-18(25)6-3-16/h2-12H,13-14H2,1H3,(H,26,27,29).
What are the key properties of 2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide?
2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide has a molecular weight of 407.88 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 10763933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).