N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide

C17H15ClFN3O2 — CID 84592707

IUPACN-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2ccncc2F)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFN3O2/c1-22-15(23)8-14(16(22)10-2-4-11(18)5-3-10)21-17(24)12-6-7-20-9-13(12)19/h2-7,9,14,16H,8H2,1H3,(H,21,24)
InChIKeyGIIMUHAZNPSNBI-UHFFFAOYSA-N
MW347.78 g/mol
LogP2.58
Rot. Bonds3

About N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide

N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 84592707) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide
PubChem CID84592707
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC NameN-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2ccncc2F)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFN3O2/c1-22-15(23)8-14(16(22)10-2-4-11(18)5-3-10)21-17(24)12-6-7-20-9-13(12)19/h2-7,9,14,16H,8H2,1H3,(H,21,24)
InChIKeyGIIMUHAZNPSNBI-UHFFFAOYSA-N
XLogP2.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide (CID 84592707) is N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide is CN1C(=O)CC(NC(=O)c2ccncc2F)C1c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is GIIMUHAZNPSNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-22-15(23)8-14(16(22)10-2-4-11(18)5-3-10)21-17(24)12-6-7-20-9-13(12)19/h2-7,9,14,16H,8H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide?
N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 347.78 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 84592707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).