N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H23ClN2O3 — CID 4229958

IUPACN-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(=O)NCCc3ccc(Cl)cc3)CC2=O)cc1
InChIInChI=1S/C21H23ClN2O3/c1-27-19-8-4-16(5-9-19)13-24-14-17(12-20(24)25)21(26)23-11-10-15-2-6-18(22)7-3-15/h2-9,17H,10-14H2,1H3,(H,23,26)
InChIKeyBUZKLXRJIBYPMQ-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.06
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4229958) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4229958
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(=O)NCCc3ccc(Cl)cc3)CC2=O)cc1
InChIInChI=1S/C21H23ClN2O3/c1-27-19-8-4-16(5-9-19)13-24-14-17(12-20(24)25)21(26)23-11-10-15-2-6-18(22)7-3-15/h2-9,17H,10-14H2,1H3,(H,23,26)
InChIKeyBUZKLXRJIBYPMQ-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.06
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)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 4229958) is N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CN2CC(C(=O)NCCc3ccc(Cl)cc3)CC2=O)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BUZKLXRJIBYPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-27-19-8-4-16(5-9-19)13-24-14-17(12-20(24)25)21(26)23-11-10-15-2-6-18(22)7-3-15/h2-9,17H,10-14H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4229958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).