N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide

C21H13ClFN3O3 — CID 11200691

IUPACN-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccc(F)cc2C1=O)c1ccccn1
InChIInChI=1S/C21H13ClFN3O3/c22-13-4-7-17(25-19(27)18-3-1-2-8-24-18)12(9-13)11-26-20(28)15-6-5-14(23)10-16(15)21(26)29/h1-10H,11H2,(H,25,27)
InChIKeyYQBPEFYDKGHACA-UHFFFAOYSA-N
MW409.80 g/mol
LogP3.92
Rot. Bonds4

About N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide

N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide (PubChem CID 11200691) has the molecular formula C21H13ClFN3O3 and a molecular weight of 409.80 g/mol. Its IUPAC name is N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
PubChem CID11200691
Molecular FormulaC21H13ClFN3O3
Molecular Weight409.80 g/mol
Exact Mass409.06
IUPAC NameN-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccc(F)cc2C1=O)c1ccccn1
InChIInChI=1S/C21H13ClFN3O3/c22-13-4-7-17(25-19(27)18-3-1-2-8-24-18)12(9-13)11-26-20(28)15-6-5-14(23)10-16(15)21(26)29/h1-10H,11H2,(H,25,27)
InChIKeyYQBPEFYDKGHACA-UHFFFAOYSA-N
XLogP3.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 53.92
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-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide (CID 11200691) is N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccc(F)cc2C1=O)c1ccccn1.
What is the InChIKey of N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is YQBPEFYDKGHACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3O3/c22-13-4-7-17(25-19(27)18-3-1-2-8-24-18)12(9-13)11-26-20(28)15-6-5-14(23)10-16(15)21(26)29/h1-10H,11H2,(H,25,27).
What are the key properties of N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide?
N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 409.80 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 11200691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).