N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H18ClFN2O3 — CID 580158

IUPACN-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18ClFN2O3/c20-14-1-7-17(8-2-14)26-10-9-22-19(25)13-11-18(24)23(12-13)16-5-3-15(21)4-6-16/h1-8,13H,9-12H2,(H,22,25)
InChIKeyNXBNLKYNDCUYJQ-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 580158) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID580158
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18ClFN2O3/c20-14-1-7-17(8-2-14)26-10-9-22-19(25)13-11-18(24)23(12-13)16-5-3-15(21)4-6-16/h1-8,13H,9-12H2,(H,22,25)
InChIKeyNXBNLKYNDCUYJQ-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 580158) is N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCOc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NXBNLKYNDCUYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c20-14-1-7-17(8-2-14)26-10-9-22-19(25)13-11-18(24)23(12-13)16-5-3-15(21)4-6-16/h1-8,13H,9-12H2,(H,22,25).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.82 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 580158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).