N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide

C20H11ClFN3O3 — CID 45110133

IUPACN-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C20H11ClFN3O3/c21-13-10-11(24-18(26)15-6-1-2-9-23-15)7-8-16(13)25-19(27)12-4-3-5-14(22)17(12)20(25)28/h1-10H,(H,24,26)
InChIKeyHDLABPAQQVOWQC-UHFFFAOYSA-N
MW395.78 g/mol
LogP3.93
Rot. Bonds3

About N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide

N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 45110133) has the molecular formula C20H11ClFN3O3 and a molecular weight of 395.78 g/mol. Its IUPAC name is N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID45110133
Molecular FormulaC20H11ClFN3O3
Molecular Weight395.78 g/mol
Exact Mass395.05
IUPAC NameN-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C20H11ClFN3O3/c21-13-10-11(24-18(26)15-6-1-2-9-23-15)7-8-16(13)25-19(27)12-4-3-5-14(22)17(12)20(25)28/h1-10H,(H,24,26)
InChIKeyHDLABPAQQVOWQC-UHFFFAOYSA-N
XLogP3.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide (CID 45110133) is N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is HDLABPAQQVOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFN3O3/c21-13-10-11(24-18(26)15-6-1-2-9-23-15)7-8-16(13)25-19(27)12-4-3-5-14(22)17(12)20(25)28/h1-10H,(H,24,26).
What are the key properties of N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 395.78 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 45110133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).