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

C16H13ClFN3O2 — CID 95323518

IUPACN-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccnc(F)c1
InChIInChI=1S/C16H13ClFN3O2/c17-12-3-1-2-4-13(12)21-9-11(8-15(21)22)20-16(23)10-5-6-19-14(18)7-10/h1-7,11H,8-9H2,(H,20,23)/t11-/m1/s1
InChIKeySXMWQSWZFAEEEX-LLVKDONJSA-N
MW333.75 g/mol
LogP2.41
Rot. Bonds3

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

N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 95323518) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide
PubChem CID95323518
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC NameN-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccnc(F)c1
InChIInChI=1S/C16H13ClFN3O2/c17-12-3-1-2-4-13(12)21-9-11(8-15(21)22)20-16(23)10-5-6-19-14(18)7-10/h1-7,11H,8-9H2,(H,20,23)/t11-/m1/s1
InChIKeySXMWQSWZFAEEEX-LLVKDONJSA-N
XLogP2.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide (CID 95323518) is N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide is O=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccnc(F)c1.
What is the InChIKey of N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is SXMWQSWZFAEEEX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c17-12-3-1-2-4-13(12)21-9-11(8-15(21)22)20-16(23)10-5-6-19-14(18)7-10/h1-7,11H,8-9H2,(H,20,23)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide?
N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 95323518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).