2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide

C16H11F2N3O2 — CID 91040073

IUPAC2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(Cc2c(F)cccc2F)c2ncccc12
InChIInChI=1S/C16H11F2N3O2/c17-12-4-1-5-13(18)11(12)8-21-7-10(14(22)15(19)23)9-3-2-6-20-16(9)21/h1-7H,8H2,(H2,19,23)
InChIKeyHFQALYABODHWCD-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.03
Rot. Bonds4

About 2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide

2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide (PubChem CID 91040073) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is 2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide
PubChem CID91040073
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(Cc2c(F)cccc2F)c2ncccc12
InChIInChI=1S/C16H11F2N3O2/c17-12-4-1-5-13(18)11(12)8-21-7-10(14(22)15(19)23)9-3-2-6-20-16(9)21/h1-7H,8H2,(H2,19,23)
InChIKeyHFQALYABODHWCD-UHFFFAOYSA-N
XLogP2.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.03
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

[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 114930868
1-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-(1H-1,2,4-triazol-5-yl)ethane-1,2-dione
CID 10154815
1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone
CID 2768415
2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
CID 3161660
methyl 2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 58719772
N-(3,5-dichloro-4-pyridinyl)-2-oxo-2-[1-[(2,3,5,6-tetradeuterio-4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 110170775
1-[1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 118567251
N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162969
1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(3-fluoro-2-methylphenyl)urea
CID 53144570
1-ethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162947
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66415084
2-(1-benzylpyrrolo[2,3-b]pyridin-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid
CID 141173572

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide (CID 91040073) is 2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide is NC(=O)C(=O)c1cn(Cc2c(F)cccc2F)c2ncccc12.
What is the InChIKey of 2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide?
The InChIKey is HFQALYABODHWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-12-4-1-5-13(18)11(12)8-21-7-10(14(22)15(19)23)9-3-2-6-20-16(9)21/h1-7H,8H2,(H2,19,23).
What are the key properties of 2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide?
2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide has a molecular weight of 315.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide is sourced from PubChem (CID 91040073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).