N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide

C24H27ClN4O4 — CID 134792268

IUPACN-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)N3CCC(C(=O)NCCc4ccc(Cl)cc4)C3)NC2=O)c1
InChIInChI=1S/C24H27ClN4O4/c1-33-20-4-2-3-19(13-20)29-15-21(27-24(29)32)23(31)28-12-10-17(14-28)22(30)26-11-9-16-5-7-18(25)8-6-16/h2-8,13,17,21H,9-12,14-15H2,1H3,(H,26,30)(H,27,32)
InChIKeyAZCLBJUWUXYPOP-UHFFFAOYSA-N
MW470.96 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 134792268) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
PubChem CID134792268
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)N3CCC(C(=O)NCCc4ccc(Cl)cc4)C3)NC2=O)c1
InChIInChI=1S/C24H27ClN4O4/c1-33-20-4-2-3-19(13-20)29-15-21(27-24(29)32)23(31)28-12-10-17(14-28)22(30)26-11-9-16-5-7-18(25)8-6-16/h2-8,13,17,21H,9-12,14-15H2,1H3,(H,26,30)(H,27,32)
InChIKeyAZCLBJUWUXYPOP-UHFFFAOYSA-N
XLogP2.45
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide (CID 134792268) is N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)N3CCC(C(=O)NCCc4ccc(Cl)cc4)C3)NC2=O)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is AZCLBJUWUXYPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-33-20-4-2-3-19(13-20)29-15-21(27-24(29)32)23(31)28-12-10-17(14-28)22(30)26-11-9-16-5-7-18(25)8-6-16/h2-8,13,17,21H,9-12,14-15H2,1H3,(H,26,30)(H,27,32).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 470.96 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134792268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).