2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide

C22H14F3N3O2 — CID 46228024

IUPAC2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)14-5-7-16(8-6-14)28-13-18(17-3-1-2-4-19(17)28)20(29)21(30)27-15-9-11-26-12-10-15/h1-13H,(H,26,27,30)
InChIKeyFYJBYODIAFGMSM-UHFFFAOYSA-N
MW409.37 g/mol
LogP4.87
Rot. Bonds4

About 2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide

2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide (PubChem CID 46228024) has the molecular formula C22H14F3N3O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide
PubChem CID46228024
Molecular FormulaC22H14F3N3O2
Molecular Weight409.37 g/mol
Exact Mass409.10
IUPAC Name2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)14-5-7-16(8-6-14)28-13-18(17-3-1-2-4-19(17)28)20(29)21(30)27-15-9-11-26-12-10-15/h1-13H,(H,26,27,30)
InChIKeyFYJBYODIAFGMSM-UHFFFAOYSA-N
XLogP4.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-hydroxyphenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 46228029
2-[1-(2-fluorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 46227989
methyl 1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 24895075
1-pyridin-3-ylindole-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 160804799
1-oxo-2-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 14891662
N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207817
N-(1,3-benzodioxol-5-yl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
CID 46786093
N-[[1-[4-(trifluoromethyl)phenyl]indol-3-yl]methylidene]hydroxylamine
CID 176652794
1-[1-[3-amino-5-(trifluoromethyl)phenyl]indol-3-yl]ethanone
CID 53415778
methyl 1-oxo-2-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxylate
CID 177224176
1-(chloromethyl)-4-fluorobenzene;1-[(4-fluorophenyl)methyl]indole;2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;4-methylpyridine
CID 91077289
N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207729

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide?
The IUPAC name of 2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide (CID 46228024) is 2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide.
What is the SMILES notation for 2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide?
The canonical SMILES for 2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide is O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide?
The InChIKey is FYJBYODIAFGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O2/c23-22(24,25)14-5-7-16(8-6-14)28-13-18(17-3-1-2-4-19(17)28)20(29)21(30)27-15-9-11-26-12-10-15/h1-13H,(H,26,27,30).
What are the key properties of 2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide?
2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide has a molecular weight of 409.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pyridin-4-yl-2-[1-[4-(trifluoromethyl)phenyl]indol-3-yl]acetamide is sourced from PubChem (CID 46228024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).