N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C15H18ClFN2O3 — CID 53181891

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccc(F)c(Cl)c2)CC1=O
InChIInChI=1S/C15H18ClFN2O3/c1-22-5-4-19-9-11(7-14(19)20)15(21)18-8-10-2-3-13(17)12(16)6-10/h2-3,6,11H,4-5,7-9H2,1H3,(H,18,21)
InChIKeyDMYKEXMMZWFTFJ-UHFFFAOYSA-N
MW328.77 g/mol
LogP1.59
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53181891) has the molecular formula C15H18ClFN2O3 and a molecular weight of 328.77 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID53181891
Molecular FormulaC15H18ClFN2O3
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccc(F)c(Cl)c2)CC1=O
InChIInChI=1S/C15H18ClFN2O3/c1-22-5-4-19-9-11(7-14(19)20)15(21)18-8-10-2-3-13(17)12(16)6-10/h2-3,6,11H,4-5,7-9H2,1H3,(H,18,21)
InChIKeyDMYKEXMMZWFTFJ-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 53181891) is N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)NCc2ccc(F)c(Cl)c2)CC1=O.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DMYKEXMMZWFTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O3/c1-22-5-4-19-9-11(7-14(19)20)15(21)18-8-10-2-3-13(17)12(16)6-10/h2-3,6,11H,4-5,7-9H2,1H3,(H,18,21).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.77 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53181891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).