N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide

C21H14FN3O3 — CID 113083009

IUPACN-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1cccc(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C21H14FN3O3/c22-17-9-2-1-5-13(17)11-18(26)24-14-6-3-7-15(12-14)25-20(27)16-8-4-10-23-19(16)21(25)28/h1-10,12H,11H2,(H,24,26)
InChIKeyBYZTVKGXAUUWLN-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.20
Rot. Bonds4

About N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide

N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113083009) has the molecular formula C21H14FN3O3 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide
PubChem CID113083009
Molecular FormulaC21H14FN3O3
Molecular Weight375.36 g/mol
Exact Mass375.10
IUPAC NameN-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1cccc(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C21H14FN3O3/c22-17-9-2-1-5-13(17)11-18(26)24-14-6-3-7-15(12-14)25-20(27)16-8-4-10-23-19(16)21(25)28/h1-10,12H,11H2,(H,24,26)
InChIKeyBYZTVKGXAUUWLN-UHFFFAOYSA-N
XLogP3.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-phenylacetamide
CID 113082993
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide
CID 113082971
tert-butyl N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]carbamate
CID 113083018
6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 62316965
6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 714778
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(3-fluorophenyl)acetamide
CID 110343512
6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 64782032
5-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-fluorobenzoic acid
CID 60998976
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
2-(2-fluorophenyl)-N-imidazo[1,2-a]pyridin-6-ylacetamide
CID 110734742
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide (CID 113083009) is N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)Nc1cccc(N2C(=O)c3cccnc3C2=O)c1.
What is the InChIKey of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is BYZTVKGXAUUWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O3/c22-17-9-2-1-5-13(17)11-18(26)24-14-6-3-7-15(12-14)25-20(27)16-8-4-10-23-19(16)21(25)28/h1-10,12H,11H2,(H,24,26).
What are the key properties of N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide?
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 375.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113083009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).