N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide

C21H20Cl2F2N2O2 — CID 166541727

IUPACN-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
SMILESO=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1cccc(Cl)c1Cl
InChIInChI=1S/C21H20Cl2F2N2O2/c22-16-5-1-3-13(20(16)23)9-10-26-18(28)11-15-7-8-19(29)27(15)12-14-4-2-6-17(24)21(14)25/h1-6,15H,7-12H2,(H,26,28)
InChIKeyGNHNYYBHQISOHC-UHFFFAOYSA-N
MW441.31 g/mol
LogP4.51
Rot. Bonds7

About N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide

N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide (PubChem CID 166541727) has the molecular formula C21H20Cl2F2N2O2 and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
PubChem CID166541727
Molecular FormulaC21H20Cl2F2N2O2
Molecular Weight441.31 g/mol
Exact Mass440.09
IUPAC NameN-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
SMILESO=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1cccc(Cl)c1Cl
InChIInChI=1S/C21H20Cl2F2N2O2/c22-16-5-1-3-13(20(16)23)9-10-26-18(28)11-15-7-8-19(29)27(15)12-14-4-2-6-17(24)21(14)25/h1-6,15H,7-12H2,(H,26,28)
InChIKeyGNHNYYBHQISOHC-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide (CID 166541727) is N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide is O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The InChIKey is GNHNYYBHQISOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2F2N2O2/c22-16-5-1-3-13(20(16)23)9-10-26-18(28)11-15-7-8-19(29)27(15)12-14-4-2-6-17(24)21(14)25/h1-6,15H,7-12H2,(H,26,28).
What are the key properties of N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide has a molecular weight of 441.31 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)ethyl]-2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166541727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).